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Strongly interacting impurities in a dilute Bose condensate

Nikolay Yegovtsev Department of Physics and Center for Theory of Quantum Matter, University of Colorado, Boulder CO 80309, USA    Pietro Massignan Departament de Física, Universitat Politècnica de Catalunya, Campus Nord B4-B5, E-08034 Barcelona, Spain    Victor Gurarie Department of Physics and Center for Theory of Quantum Matter, University of Colorado, Boulder CO 80309, USA
Abstract

An impurity in a Bose gas is commonly referred to as Bose polaron. For a dilute Bose gas its properties are expected to be universal, that is dependent only on a few parameters characterizing the boson-impurity interactions. When boson-impurity interactions are weak, it has been known for some time that the properties of the polaron depend only on the scattering length of these interactions. In this paper which accompanies and extends Ref. [1] (where some of these results have already been reported) we examine stronger boson-impurity interactions, keeping their range finite. We demonstrate that for attractive interactions between impurity and the bosons up to and including the unitary point of these interactions, all static properties of a Bose polaron in a dilute Bose gas can be calculated in terms of the scattering length and an additional parameter which characterizes the range of the impurity-boson interactions. We show that our approach to this problem is valid if this parameter does not deviate too much from the scattering length of intra-boson interactions, with the precise criterion given in the text. We produce explicit expressions for the energy and other properties of polaron for the case when the impurity-boson scattering length is tuned to unitarity, and we also provide the first correction away from it.

I Introduction

The study of impurities in Bose and Fermi gases has a long history [2, 3, 4, 5, 6, 7]. An impurity, that is an atom distinguishable from those forming the gas, binds with the atoms of the gas to form a quasiparticle often called a polaron. Polarons in ultracold Fermi gases, both weakly and strongly interacting, have been studied for quite some time [8, 9, 10, 11, 12, 13, 14, 15, 16, 17]. Polarons in Bose gases have recently been getting significant attention [18, 19, 20, 21].

We would like to apply the expansion in powers of the gas parameter of the Bose gas to the problem of a dilute Bose gas interacting attractively and arbitrarily strongly with a single impurity. We argue that this expansion is valid no matter how strong the boson-impurity interactions are, up to the unitary point, as long as the typical spatial extend of impurity-boson interactions is not too short.

The interactions among the bosons in the gas are taken to be repulsive, with the range roughly of the order of the scattering length of the intra-boson interactions, as always the case for weak repulsive interactions. We further argue that for the purpose of calculations this range can be taken to zero without qualitative change in the properties of the polaron.

This approach allows us to produce a method to calculate the energy of the Bose polaron at arbitrary negative scattering length characterizing impurity-boson interactions, including when it is infinity. At infinite and close to infinite scattering length, we derive explicit expressions for the energy and other properties of the polaron.

To demonstrate the validity of our approach, we estimate the first subleading term in the expansion in powers of gas parameter. We show that this term is indeed small regardless of the strength of the boson-impurity interactions, under reasonable assumptions on their range. This offers strong support to the claim that the leading term correctly captures the behavior of the impurity when the gas is weakly interacting and the range of the impurity-boson interactions is not too short.

We consider a weakly interacting Bose gas with density nn. Suppose a number of impurity atoms are introduced in this gas with density nInn_{I}\ll n. Let us first briefly consider the thermodynamics of this gas with impurities, following earlier work [22].

The free energy per unit volume of this gas will depend on both densities F(n,nI)F(n,n_{I}). It is advantageous to introduce a “mixed” thermodynamic potential

G(μ,nI)=Fμn.G(\mu,n_{I})=F-\mu n. (1)

Here μ\mu is the chemical potential of the gas, μ=F/n\mu=\partial F/\partial n. To maintain constant the density of the gas far away from the impurities we work in the regime where μ\mu is fixed and is independent of nIn_{I}.

At small impurity density we expect that G(μ,nI)G(\mu,n_{I}) will have a regular Taylor expansion in powers of nIn_{I},

G(μ,nI)G(μ,0)+E(μ)nI+E2(μ)nI2+.G(\mu,n_{I})\approx G(\mu,0)+E(\mu)\,n_{I}+E_{2}(\mu)\,n_{I}^{2}+\dots.

Here E(μ)E(\mu) is clearly the energy cost of adding a single impurity, while E2(μ)E_{2}(\mu) and higher order terms describe interactions among the impurities.

Let us work at a very low density where interactions among the impurities can be neglected. The density of the gas kept at chemical potential μ\mu with the impurity density nIn_{I} can now be found according to

n=Gμ=n0nIEμ.n=-\frac{\partial G}{\partial\mu}=n_{0}-n_{I}\frac{\partial E}{\partial\mu}. (2)

where

n0=G(μ,0)μn_{0}=-\frac{\partial G(\mu,0)}{\partial\mu}

is the density of the gas before impurities were introduced.

Multiplying (2) by the volume VV on both sides, and noting that VnIVn_{I} is the total number of introduced impurities, we find that the number of bosons trapped in the potential created by a single impurity is

N(μ)=Eμ.N(\mu)=-\frac{\partial E}{\partial\mu}. (3)

This is a powerful relationship which allows us to concentrate on calculating EE, simultaneously also determining number of trapped bosons NN.

The goal of this paper is to calculate E(μ)E(\mu) and N(μ)N(\mu). While these quantities can be expected to depend on the the details of the interactions among the bosons as well as boson-impurity interactions, and while from the point of view of matching the calculation with experiment it may be important to analyze this problem with the range of parameters relevant for experiment, we expect that the behavior of these functions will be universal to some degree in the limit where the strength of intra-boson interactions is taken to zero.

We would like therefore to analyze the functions E(μ)E(\mu) and N(μ)N(\mu) in the limit of very weak interactions among bosons, while the interaction between the impurity and the bosons remain arbitrary. In particular, the interaction can be allowed to be taken to the unitarity limit where it is effectively the strongest.

As could be expected, we find that in this regime the properties of polaron do not show any substantial dependence on the range of the boson-boson interactions. However, they do show substantial dependence on the range of the boson-impurity interactions. The results reported here are valid if the range RR of the boson-impurity interaction satisfies

(n0aB3)1/4RaB1n0aB3.(n_{0}a_{B}^{3})^{1/4}\ll\frac{R}{a_{B}}\ll\frac{1}{\sqrt{n_{0}a_{B}^{3}}}. (4)

Here aBa_{B} is the scattering length of the boson-boson interactions and n0n_{0} is the density of the Bose gas. Weak interactions among bosons of course implies n0aB31n_{0}a_{B}^{3}\ll 1. The first of these two inequalities are obtained by demanding that the gas remains weakly interacting everywhere including at the position of the impurity, while the second of these inequalities asks that the range of the potential remains smaller than the healing length of the gas.

Note that this excludes the direct comparison of our results to those obtained in the zero range regime where R0R\rightarrow 0 such as Ref. [23]. However, we expect that the conditions (4) are satisfied in experiment, since for realistic interactions R/aB1R/a_{B}\sim 1.

One of our main results is that in the regime of weak boson-boson interactions, with the range of boson-impurity interaction satisfying the conditions (4), E(μ)E(\mu) and N(μ)N(\mu) can be calculated as a function of the boson-impurity scattering length aa. In Ref. [1] we showed that in the unitary limit where aa is taken to infinity, they take the analytic form asymptotically valid under the conditions (4)

E(μ)=3(πn0)2/32m(RaB)1/3,E(\mu)=-\frac{3(\pi n_{0})^{2/3}}{2m}\left(\frac{R}{a_{B}}\right)^{1/3}, (5)
N(μ)=R1/34(πnaB4)1/3.N(\mu)=\frac{R^{1/3}}{4(\pi na_{B}^{4})^{1/3}}. (6)

Here mm is the reduced mass of bosons and impurity defined below in Eq. (10). For the purpose of Eqs. (5) and (6) RR needs to be the quantitatively defined. Precise definition of RR is given below in Eq. (51).

Both of these are asymptotically exact in the limit where aBa_{B} is taken to zero.

We also calculate EE and NN when aa deviates from the unitary limit. While in principle our methods allow us to find these quantities for arbitrary a<0a<0, in practice expressions for those quickly become cumbersome, so we discuss only the expansion of EE and NN in powers of 1/a1/a, given in Eq. (58), as well as the behavior of these quantities for small aa.

The rest of this paper in organized as follows. In Section II we set up the problem and the techniques we will use to analyze it. Section III describes the solution of the problem both at weak and strong (close to unitarity) impurity-boson attractive interaction, with the simplifying assumption of the intra-boson interactions range taken to zero. Section IV studies fluctuational corrections to the saddle point approximation employed in Section III and derives the conditions (4). Section V discusses the implication of finite range intra-boson interactions, with the conclusion that the finite range does not strongly affect the behavior of the polaron, unlike the range of the boson-impurity interaction. Section VI discusses a particular technique, expansion about the unperturbed condensate, which, while appealing at a first glance, can be shown to fail as one approaches the unitary limit of impurity-boson interactions. Section VII discusses Bose-impurity interactions which support a bound state, with the conclusion that the polaron behavior in this regime depends on the detailed functional form of these interactions. Section VIII presents our conclusions. Finally, in the Appendix, we demonstrate that the technique of Section VI, if its range of applicability is ignored, produces the expression (102) which appeared before in the literature [24], but which our analysis indicates is not applicable at strong boson-impurity interactions.

II Setting up the problem

We begin with a number of bosons of mass mbm_{b} which interact among themselves via a short-range weak interaction VbbV_{bb}, as well as interacting with a single impurity of mass MM via another potential UU. The problem can be set up according to

H=j𝐩j22mb+𝐏22M+jkVbb(𝐱j𝐱k)+jU(𝐱j𝐗).{H}=\sum_{j}\frac{{\bf p}_{j}^{2}}{2m_{b}}+\frac{{\bf P}^{2}}{2M}+\sum_{jk}V_{bb}({\bf x}_{j}-{\bf x}_{k})+\sum_{j}U({\bf x}_{j}-{\bf X}).

Here 𝐱j{\bf x}_{j} and 𝐩j{\bf p}_{j} are the coordinates and the momenta of the bosons, while 𝐗{\bf X} and 𝐏{\bf P} are the coordinate and the momentum of the impurity.

Before proceeding further, we would like to state explicitly that everywhere in this paper in accordance with conventions common in quantum many-body literature we set =1\hbar=1, kB=1k_{B}=1.

As was already exploited in the literature in this context [25, 26], it is convenient to get rid of the impurity coordinate by performing the Lee-Low-Pines unitary transformation [27] of the Hamiltonian. Define

W=𝐗j𝐩j.W={\bf X}\cdot\sum_{j}{\bf p}_{j}.

Straightforward algebra shows that

eiWHeiW=e^{iW}He^{-iW}=
j𝐩j22mb+(𝐩0j𝐩j)22M+jkVbb(𝐱j𝐱k)+jU(𝐱j).\sum_{j}\frac{{\bf p}_{j}^{2}}{2m_{b}}+\frac{\left({\bf p}_{0}-\sum_{j}{\bf p}_{j}\right)^{2}}{2M}+\sum_{jk}V_{bb}({\bf x}_{j}-{\bf x}_{k})+\sum_{j}U({\bf x}_{j}).

Here 𝐩0{\bf p}_{0} is the conserved total momentum of the system. In this representation, the position of the impurity has effectively been set at the origin of the reference frame.

We are now going to choose the interactions among bosons to be zero ranged

Vbb(𝐱)=λδ(𝐱).V_{bb}({\bf x})=\lambda\,\delta({\bf x}). (7)

This is a largely technical step which will simplify further analysis of this problem. A very natural question then is whether a similar simplification can be used with the boson-impurity interaction potential UU. We will see later that shrinking the range of UU to zero is a singular limit as the properties of the boson-impurity cloud crucially depend on the range of the potential UU. At the same time, the dependence on the range of VbbV_{bb} is weak and can be neglected. Below we will also explore how the finite range of VbbV_{bb} modify our conclusions to confirm that the dependence on this range is indeed weak.

We are now in a good position to rewrite the Hamiltonian in the second quantized notation. It is natural to choose UU to depend on the distance rr to the impurity only, to find

\displaystyle{\cal H} =\displaystyle= d3x(ψ¯ψ2m+(U(r)μ)ψ¯ψ+λ2(ψ¯ψ)2)+\displaystyle\int d^{3}x\left(\frac{\nabla\bar{\psi}\nabla\psi}{2m}+\left(U(r)-\mu\right)\bar{\psi}\psi+\frac{\lambda}{2}\left(\bar{\psi}\psi\right)^{2}\right)+ (9)
(𝐩0+id3xψ¯ψ)22M.\displaystyle\frac{\left({\bf p}_{0}+i\int d^{3}x\,\bar{\psi}{\bf\nabla}\psi\right)^{2}}{2M}.

Here μ\mu is the chemical potential of the gas, and mm is the reduced mass of the boson and impurity,

m=mbMmb+M.m=\frac{m_{b}M}{m_{b}+M}. (10)

The coupling constant λ\lambda is related to the scattering length aB>0a_{B}>0 characterizing interactions among bosons by

λ=4πaBm.\lambda=\frac{4\pi a_{B}}{m}.

Throughout this paper we concentrate on the very heavy impurity where MM is very large. In this limit, the term on the second line of Eq. (9) can be entirely neglected. We also note that in this limit mb=mm_{b}=m. We plan to discuss the effects of the finite impurity mass in a different publication.

We arrive at a very concrete formulation of the problem we would like to solve. A single heavy impurity can be effectively represented by a potential U(r)U({r}) it induces on the gas which can be thought of as centered in the origin of the reference frame. Thus Hamiltonian {\cal H} of the gas with an infinitely heavy impurity is simply given by Eq. (9) with MM taken to infinity, or

=d3x(ψ¯ψ2m+(U(r)μ)ψ¯ψ+λ2(ψ¯ψ)2).{\cal H}=\int d^{3}x\left(\frac{\nabla\bar{\psi}\nabla\psi}{2m}+\left(U(r)-\mu\right)\bar{\psi}\psi+\frac{\lambda}{2}\left(\bar{\psi}\psi\right)^{2}\right). (11)

To study the problem given by Eq. (11) we rely on the functional integration formalism. To set up the functional integral, we construct the coherent state imaginary time action

S=01/T𝑑τ(d3xψ¯ψτ+),S=\int_{0}^{1/T}d\tau\,\left(\int d^{3}x\,\bar{\psi}\frac{\partial\psi}{\partial\tau}+{\cal H}\right), (12)

where TT is temperature. We will eventually take it to zero in most of the calculations, but it is convenient to keep it finite in some of the intermediate steps. With the help of this action we write down the functional integral which allows us to calculate GG defined in Eq. (1),

eVGT=𝒟ψeS.e^{-\frac{VG}{T}}=\int{\cal D}\psi\,e^{-S}. (13)

Here VV is the volume of the system.

The gas we consider here is weakly-interacting, which is well known to imply that

n01/3aB.n_{0}^{-1/3}\gg a_{B}. (14)

Note that n01/3n_{0}^{-1/3} is the mean interparticle spacing in the gas. The chemical potential μ\mu can be used to define the healing length ξ\xi of the gas according to

μ=1/(2mξ2).\mu=1/\left(2m\xi^{2}\right). (15)

In a weakly-interacting Bose gas μ=λn0\mu=\lambda n_{0}, thus the condition for weak interactions can also be written as

ξn01/3.\xi\gg n_{0}^{-1/3}. (16)

III Solution via Saddle Point Approximation

Starting with the functional integral defined by Eqs. (11), (12) and (13), we apply the saddle point approximation to find the Gross-Pitaevskii (GP) equation describing this Bose condensate, which reads

Δψ2m+Uψ+λ|ψ|2ψ=μψ.-\frac{\Delta\psi}{2m}+U\psi+\lambda\left|\psi\right|^{2}\psi=\mu\psi. (17)

Given the solution of this equation ψ\psi, the energy of the polaron can be deduced by the substitution of it into Eq. (11) and subtracting the energy of the condensate without impurity, to give

E=λ2d3x(|ψ|4n02).E=-\frac{\lambda}{2}\int d^{3}x\left(\left|\psi\right|^{4}-n_{0}^{2}\right). (18)

At the same time, the number of particles trapped in the polaron can be found by evaluating

N=d3x[|ψ|2n0].N=\int d^{3}x\left[\left|\psi\right|^{2}-n_{0}\right].

We note that if the potential does not vary much on the scale of ξ\xi, then the GP equation can be solved using local density approximation, as is often done in the case where UU represents the smooth potential of a trap holding the condensate. However, we are interested in the opposite limit where the range of the potential is much smaller than ξ\xi.

It is natural to ask whether fluctuations about the Gross-Pitaevskii equation are needed to study the polaron. We will argue in Sec. IV that as long as the gas is weakly interacting and the range of the impurity-boson potential satisfies the conditions (4), the Gross-Pitaevskii equation gives a good approximation to the behavior of the polaron.

Eq. (17) is nonlinear and at a first glance looks intractable. We now demonstrate that nevertheless its analytic solution is possible as long as RξR\ll\xi.

III.1 Analytic solution to the Gross-Pitaevskii equation in an external potential

We would first like to work with potential which is strictly zero beyond some length rcr_{c}, U(r)=0U(r)=0 for r>rcr>r_{c} (we will later be able to also consider potentials extending all the way to infinity). We introduce

ϕ=ψn0.\phi=\frac{\psi}{\sqrt{n_{0}}}.

In terms of this dimensionless condensate density function, Gross-Pitaevskii equation becomes

Δϕ2m+Uϕ=μϕ(1|ϕ|2).-\frac{\Delta\phi}{2m}+U\phi=\mu\phi\left(1-\left|\phi\right|^{2}\right). (19)

Since we are looking for the lowest energy solution, those will be real valued and spherically symmetric.

We analyze the Eq (19) by introducing a small parameter

ϵ=rcξ\epsilon=\frac{r_{c}}{\xi} (20)

and constructing its solution as an expansion in powers of this parameter. As a first step, it is convenient to split the range of rr into 0rrc0\leq r\leq r_{c} and rcr<r_{c}\leq r<\infty. In the first interval we introduce

y=rrc,ϕ=χ(y)y.y=\frac{r}{r_{c}},\ \phi=\frac{\chi(y)}{y}.

χ(y)\chi(y) satisfies

d2χdy2+2mrc2Uχ=ϵ2(χχ3y2)-\frac{d^{2}\chi}{dy^{2}}+2mr_{c}^{2}U\chi=\epsilon^{2}\left(\chi-\frac{\chi^{3}}{y^{2}}\right) (21)

on the interval y[0,1]y\in[0,1], as well as χ(0)=0\chi(0)=0. In the second interval we introduce

z=rξ,ϕ=1+u(z)z,z=\frac{r}{\xi},\ \phi=1+\frac{u(z)}{z},

to find

d2udz22u=3u2z+u3z2\frac{d^{2}u}{dz^{2}}-2u=3\frac{u^{2}}{z}+\frac{u^{3}}{z^{2}} (22)

on the interval z[ϵ,]z\in[\epsilon,\infty], where u0u\rightarrow 0 when zz\rightarrow\infty. We need to solve Eqs. (21) and (22), matching the behavior of their solutions at the boundary r=rcr=r_{c}.

III.1.1 Weak potential

Let us first examine the case of weak attractive potential with a small scattering length a<0a<0. We solve Eq. (21) in the interval 0y10\leq y\leq 1 neglecting its right hand side as it contains a small parameter ϵ\epsilon. Then Eq. (21) reduces to a Schrödinger equation in the potential UU at zero energy,

d2χdy2+2mrc2Uχ=0,-\frac{d^{2}\chi}{dy^{2}}+2mr_{c}^{2}U\chi=0, (23)

whose solution χ0\chi_{0} must satisfy χ0(0)=0\chi_{0}(0)=0. At y>1y>1 the potential UU is zero, so χ\chi must be a linear function. Bethe-Peierls boundary conditions fix the form of this function to be

χ0(y)=α1rca(1rcay),y>1,\chi_{0}(y)=\frac{\alpha}{1-\frac{r_{c}}{a}}\left(1-\frac{r_{c}}{a}y\right),\ y>1, (24)

where aa is the scattering length in the potential UU and α\alpha is the normalization of the solution chosen in such a way that

χ0(1)=α.\chi_{0}(1)=\alpha. (25)

We can rewrite Bethe-Peierls boundary conditions in a convenient way by observing that they are equivalent to

χ0(1)=α1arc.\chi^{\prime}_{0}(1)=\frac{\alpha}{1-\frac{a}{r_{c}}}. (26)

We could continue to solve Eq. (21) by means of successive approximations. The next correction χ1\chi_{1} to the solution satisfies

d2χ1dy2+2mrc2Uχ1=ϵ2(χ0χ03y2).-\frac{d^{2}\chi_{1}}{dy^{2}}+2mr_{c}^{2}U\chi_{1}=\epsilon^{2}\left(\chi_{0}-\frac{\chi^{3}_{0}}{y^{2}}\right). (27)

χ1\chi_{1} is a small correction to χ0\chi_{0} since ϵ1\epsilon\ll 1. We will see that χ1\chi_{1} becomes important close to the unitary point where aa\rightarrow\infty. Then χ0(1)=0\chi^{\prime}_{0}(1)=0 and it is χ1\chi_{1} which produces a nonzero contribution to the derivative. But right now we are interested in small aa. We will see a little later that we do not need to construct χ1\chi_{1} in the lowest approximation in ϵ\epsilon in that case.

Now we solve Eq. (22) neglecting its right hand side to find

u=Ae2z.u=Ae^{-\sqrt{2}z}. (28)

We can construct corrections to it by means of successive approximations. Those will be small as long as AA is small, which as we will see in a second is the case here. So for now we neglect those corrections.

Matching amplitudes and derivatives of χ(y)\chi(y) and u(z)u(z) at z=ϵz=\epsilon, or correspondingly y=1y=1, produces

A=ϵ(α1),2A=α1arc1.A=\epsilon(\alpha-1),\ -\sqrt{2}A=\frac{\alpha}{1-\frac{a}{r_{c}}}-1. (29)

Taking into account that ϵ1\epsilon\ll 1, we find

A=aξ,α=1arc.A=-\frac{a}{\xi},\ \alpha=1-\frac{a}{r_{c}}. (30)

Let us now examine if the terms neglected to arrive at this solution are indeed small. We solve (21) by successive approximations, plugging χ0\chi_{0} into the right hand side of Eq. (21) and producing a correction χ1\chi_{1}. If |a|<r0\left|a\right|<r_{0} then both χ0(1)\chi_{0}(1) and χ0(1)\chi^{\prime}_{0}(1) are of the order of 11 while χ1\chi_{1} will be of the order of ϵ21\epsilon^{2}\ll 1 and can be neglected. It gets more interesting if |a|>rc\left|a\right|>r_{c}. Then χ0(1)=αa/r0\chi_{0}(1)=\alpha\sim a/r_{0}, while χ0(1)1\chi^{\prime}_{0}(1)\sim 1. At the same time, χ1ϵ2(a/rc)3\chi_{1}\sim\epsilon^{2}(a/r_{c})^{3}. The magnitude of this had better be smaller than 11, so that the contribution of χ1(1)\chi^{\prime}_{1}(1) to the derivative of χ\chi could be neglected. This condition gives ϵ2|a|3/rc31\epsilon^{2}{\left|a\right|^{3}}/{r_{c}^{3}}\ll 1, or equivalently

|a|3ξ2rc.\left|a\right|^{3}\ll\xi^{2}r_{c}. (31)

This is the condition to neglect the right hand side of Eq. (21). We will see later that this condition signifies the transition from weak impurity potential, where Eq. (31) holds true, to the strong potential including the unitary point aa\rightarrow\infty, where it is violated.

Under the condition (31) A1A\ll 1, so obviously we can indeed neglect the right hand side of (22) as we did above.

We can now plug our solution into Eq, (18). The integral in this formula needs to be split into two parts, 0<r<rc0<r<r_{c} and rc<rr_{c}<r. It is easy to see that the contribution of the interval 0<r<rc0<r<r_{c}, under the condition (31), is negligible, so we only need to integrate over r>rcr>r_{c} with u=Aexp(2z)u=A\exp(-\sqrt{2}z). Performing the integration and again taking into account Eq. (31) to get rid of some terms suppressed relative to the main contribution we find

E=2πn0am.E=\frac{2\pi n_{0}a}{m}. (32)

This is the well known result for the energy of the polaron at weak scattering length |a|ξ|a|\ll\xi. We now see that the validity condition for this to hold true is Eq. (31).

III.1.2 Strong potential

Suppose now that the potential UU is made more attractive so that its scattering length increases, violating the condition (31) and eventually reaching infinity at the unitary point. We can follow the same strategy to obtain the solution in this case. The new element is that Bethe-Peierls boundary conditions now imply χ0(1)=0\chi^{\prime}_{0}(1)=0, so we need to solve Eq. (21) perturbatively, using its right hand side as a perturbation, to find nonzero χ1(1)\chi^{\prime}_{1}(1) contributing to χ(1)\chi^{\prime}(1). Same goes for Eq. (22).

In case when aa was small we found earlier that the amplitude χ0(1)=α\chi_{0}(1)=\alpha, α=1a/rc\alpha=1-a/r_{c}. This is of the order of 11 when aa is very small, but starts growing as |a||a| is increased. When |a|3ξ2rc|a|^{3}\sim\xi^{2}r_{c}, αϵ2/3\alpha\sim\epsilon^{-2/3}. We will see that χ(1)\chi(1) remains of the order of ϵ2/3\epsilon^{-2/3} even as aa is taken all the way to infinity, so it is convenient to introduce the notation

β=αϵ2/3,\beta=\alpha\epsilon^{2/3},

so that

χ0(y)=βϵ2/3v(y).\chi_{0}(y)=\frac{\beta}{\epsilon^{2/3}}v(y). (33)

Here vv is the solution of the Schrödinger equation

d2vdy2+2mrc2Uv=0-\frac{d^{2}v}{dy^{2}}+2mr_{c}^{2}Uv=0 (34)

normalized so that v(1)=1v(1)=1. v(1)=0v^{\prime}(1)=0 since UU is tuned to unitarity. β\beta is thus a yet unknown ϵ\epsilon-independent normalization coefficient.

We will need a correction to this which satisfies

d2χ1dy2+2mrc2Uχ1=ϵ2χ03y2.-\frac{d^{2}\chi_{1}}{dy^{2}}+2mr_{c}^{2}U\chi_{1}=-\epsilon^{2}\frac{\chi_{0}^{3}}{y^{2}}. (35)

The term ϵ2χ0\epsilon^{2}\chi_{0} from the right hand side of Eq. (27) goes as ϵ4/3\epsilon^{4/3} and can be neglected. At the same time, we see that χ1\chi_{1} is of the order of ϵ0\epsilon^{0}. Solving Eq. (35) gives

χ1=β3v(y)0ydsv2(s)0sdtv4(t)t2.\chi_{1}=\beta^{3}v(y)\int_{0}^{y}\frac{ds}{v^{2}(s)}\int_{0}^{s}\frac{dt\,v^{4}(t)}{{t}^{2}}.

Putting it together produces

χ=βϵ2/3v(y)+β3v(y)0ydsv2(s)0sdtv4(t)t2+.\chi=\frac{\beta}{\epsilon^{2/3}}v(y)+\beta^{3}v(y)\int_{0}^{y}\frac{ds}{v^{2}(s)}\int_{0}^{s}\frac{dt\,v^{4}(t)}{{t}^{2}}+\dots. (36)

The next term χ2\chi_{2} which can be obtained by continuing successive approximations goes as ϵ2/3\epsilon^{2/3}. We will not need it here, but note that it will have an even more complicated dependence on vv and by extension on features of the potential U(r)U(r) than the already obtained term χ1\chi_{1}.

From this solution we find that

χ(1)=βϵ2/3+𝒪(1),χ(1)=β3c+𝒪(ϵ2/3),\chi(1)=\frac{\beta}{\epsilon^{2/3}}+\mathcal{O}(1),\quad\chi^{\prime}(1)=\beta^{3}c+\mathcal{O}(\epsilon^{2/3}), (37)

where the dimensionless coefficient cc is defined via

c=01dyv4(y)y2.\quad c=\int_{0}^{1}\frac{dy\,v^{4}(y)}{y^{2}}. (38)

Now we turn our attention to Eq. (22). Its solution u(z)u(z) needs to be matched with the boundary conditions (37). Easy to verify that these boundary conditions imply

u(ϵ)=βϵ1/3+𝒪(ϵ),u(ϵ)=1+β3c+𝒪(ϵ2/3).u(\epsilon)=\beta\epsilon^{1/3}+\mathcal{O}(\epsilon),\quad u^{\prime}(\epsilon)=-1+\beta^{3}c+\mathcal{O}(\epsilon^{2/3}). (39)

Eq. (22) differs from Eq. (21) in that its nonlinear terms do not have an explicit factor of ϵ\epsilon in front of them. We will nonetheless solve Eq. (22) by means of successive approximations, and verify later that this is a legitimate approach. Without its right hand side, the solution to Eq. (22) reads as before,

u0(z)=Ae2z.u_{0}(z)=A\,e^{-\sqrt{2}z}. (40)

We can plug it into the right hand side of Eq. (22), however we will follow a slightly different procedure. We use Eq. (40) to rewrite Eq. (22) as an integral equation via a standard procedure. This involves solving the auxiliary equation

d2udz22u=g(z)\frac{d^{2}u}{dz^{2}}-2u=g(z)

with arbitrary given g(z)g(z), then substituting the actual right hand side of Eq. (22). We find

u(z)=Ae2z+e2z22zdse2ss(3u2(1+u)+2u3)e2z22zdse2ss(3u2(1+u)2u3).u(z)=A\,e^{-\sqrt{2}z}+\frac{e^{-\sqrt{2}z}}{2\sqrt{2}}\int_{z}^{\infty}\frac{ds\,e^{\sqrt{2}s}}{s}\left(3u^{2}(1+u^{\prime})+\sqrt{2}u^{3}\right)-\frac{e^{\sqrt{2}z}}{2\sqrt{2}}\int_{z}^{\infty}\frac{ds\,e^{-\sqrt{2}s}}{s}\left(3u^{2}(1+u^{\prime})-\sqrt{2}u^{3}\right). (41)

We now use this equation to calculate u(ϵ)u(\epsilon) and u(ϵ)u^{\prime}(\epsilon) in perturbative expansion in powers of ϵ\epsilon. Anticipating that the leading behavior Aϵ1/3A\sim\epsilon^{1/3}, as should be clear from comparing Eq. (40) and Eq. (39), we iterate Eq. (41) by plugging u0(z)u_{0}(z) into the right hand side of Eq. (41). The resulting integrals can be computed in terms of Gamma functions and expanded in powers of ϵ\epsilon. We omit rather lengthy algebra involved, and just state that this allows us to evaluate u(ϵ)u(\epsilon) to find

u(ϵ)=A+3ln322A2A3lnϵ+𝒪(ϵ).u(\epsilon)=A+\frac{3\ln 3}{2\sqrt{2}}A^{2}-A^{3}\ln\epsilon+\mathcal{O}(\epsilon). (42)

We also evaluate u(ϵ)u^{\prime}(\epsilon). Differentiating Eq. (41) gives

u(z)=2Ae2zu3ze2z2zdse2ss(3u2(1+u)+2u3)e2z2zdse2ss(3u2(1+u)2u3).u^{\prime}(z)=-\sqrt{2}Ae^{-\sqrt{2}z}-\frac{u^{3}}{z}-\frac{e^{-\sqrt{2}z}}{2}\int_{z}^{\infty}\frac{ds\,e^{\sqrt{2}s}}{s}\left(3u^{2}(1+u^{\prime})+\sqrt{2}u^{3}\right)-\frac{e^{\sqrt{2}z}}{2}\int_{z}^{\infty}\frac{ds\,e^{-\sqrt{2}s}}{s}\left(3u^{2}(1+u^{\prime})-\sqrt{2}u^{3}\right). (43)

We can again substitute u0(z)u_{0}(z) into the integrals on the right hand side of Eq. (43), to find

u(ϵ)=2Aβ3+3A2lnϵ+𝒪(ϵ2/3).u^{\prime}(\epsilon)=-\sqrt{2}A-\beta^{3}+3A^{2}\ln\epsilon+\mathcal{O}(\epsilon^{2/3}). (44)

Here we took advantage of the boundary conditions (39) which tell us that u(ϵ)=βϵ1/3u(\epsilon)=\beta\epsilon^{1/3} within the accuracy that we work with.

Combining Eq. (42) and Eq. (44) with Eq. (39) gives

A+3ln322A2A3lnϵ=βϵ1/3,2Aβ3+3A2lnϵ=1+β3c.\begin{matrix}A+\frac{3\ln 3}{2\sqrt{2}}A^{2}-A^{3}\ln\epsilon&=&\beta\epsilon^{1/3},\cr-\sqrt{2}A-\beta^{3}+3A^{2}\ln\epsilon&=&-1+\beta^{3}c.\end{matrix} (45)

We now need to solve these equations for AA and β\beta perturbatively, in powers of ϵ\epsilon. Introduce

δ=ϵ1+c.\delta=\frac{\epsilon}{1+c}.

The solution to Eq. (45) reads

A\displaystyle A =\displaystyle= δ1/3(3ln322+23)δ2/3+2δlnδ+𝒪(δ),\displaystyle\delta^{1/3}-\left(\frac{3\ln 3}{2\sqrt{2}}+\frac{\sqrt{2}}{3}\right)\delta^{2/3}+2\delta\ln\delta+\mathcal{O}(\delta), (46)
βϵ1/3\displaystyle\beta\epsilon^{1/3} =\displaystyle= δ1/323δ2/3+δlnδ+𝒪(δ).\displaystyle\delta^{1/3}-\frac{\sqrt{2}}{3}\delta^{2/3}+\delta\ln\delta+\mathcal{O}(\delta). (47)

We can now use the parameters we obtained in this way to calculate the energy and the particle number of the polaron. It turns out to be technically easier to calculate the particle number first and then use Eq. (3) to find the energy, which is the strategy we will follow here.

The excess number of particles due to the polaron is given by

N=d3x[|ψ|2n0]=4πn0ξ30z2𝑑z[ϕ21].N=\int d^{3}x\left[\left|\psi\right|^{2}-n_{0}\right]=4\pi n_{0}\xi^{3}\int_{0}^{\infty}z^{2}dz\left[\phi^{2}-1\right].

It is natural to split the integral over zz into two intervals, from 0 to ϵ\epsilon and from ϵ\epsilon to infinity. Now the contribution of the first interval can be safely neglected. Indeed, it gives

0ϵz2𝑑z[ϕ21]=ϵ301𝑑y(χ2y21)ϵ5/3.\int_{0}^{\epsilon}z^{2}dz\left[\phi^{2}-1\right]=\epsilon^{3}\int_{0}^{1}dy\left(\frac{\chi^{2}}{y^{2}}-1\right)\sim\epsilon^{5/3}.

Here we used that χ(y)1/ϵ2/3\chi(y)\sim 1/\epsilon^{2/3}. This contribution is very small and exceeds the accuracy in ϵ\epsilon with which we were doing our calculations. This also indicates that the bulk of the particles bound by the impurity are located farther than distance rcr_{c} away from the impurity.

The contribution of the second interval gives

ϵz2𝑑z((1+uz)21).\int_{\epsilon}^{\infty}z^{2}dz\left(\left(1+\frac{u}{z}\right)^{2}-1\right). (48)

To evaluate this integral we again iterate Eq. (41) once, to find uu up to the terms of the order of A2A^{2}, and substitute that into Eq. (48). The result of this evaluation is

N=4πn0ξ3(δ1/3532δ2/3+2δlnδ+).N=4\pi n_{0}\xi^{3}\left(\delta^{1/3}-\frac{5}{3\sqrt{2}}\delta^{2/3}+2\delta\ln\delta+\dots\right). (49)

Thus we evaluated the number of particles trapped in the polaron up to terms of the order of δlnδ\delta\ln\delta. To go beyond this order, starting from terms of the order of δ\delta and beyond represented by the dots above, we would need to go beyond the terms presented in Eq. (36). We expect that this will produce terms which depend on the features of the potential other than the coefficient cc.

To construct the energy of the polaron, it is easiest at this stage to take advantage of Eq. (3). The subtlety in evaluating the derivative there is that the particle number n0n_{0} as well as ξ\xi have to be traded for μ\mu before differentiating. Doing the algebra we arrive at

E=πn0ξm(3δ1322δ23+4δlnδ+).E=-\frac{\pi n_{0}\xi}{m}\left(3\delta^{\frac{1}{3}}-2\sqrt{2}\delta^{\frac{2}{3}}+4\delta\ln\delta+\dots\right). (50)

This constitutes the answer that we seek, the energy of the polaron at unitarity as an expansion in powers of δrc/ξ\delta\sim r_{c}/\xi.

Finally, let us examine δ=ϵ/(1+c)\delta=\epsilon/(1+c) in a little more detail. From the definition of cc given in Eq. (37) we can write

1+c=1+rc0r0drv4r2=rc(rcdrr2+0rcdrv4r2).1+c=1+r_{c}\int_{0}^{r_{0}}\frac{dr\,v^{4}}{r^{2}}=r_{c}\left(\int_{r_{c}}^{\infty}\frac{dr}{r^{2}}+\int_{0}^{r_{c}}\frac{dr\,v^{4}}{r^{2}}\right).

vv is the solution of the Schrödinger equation with the potential tuned to unitarity, so that v(rc)=0v^{\prime}(r_{c})=0. Since it is normalized such that v(rc)=1v(r_{c})=1, it will naturally satisfy v(r)=1v(r)=1 for all rrcr\geq r_{c}. Therefore we can rewrite this as

1+c=rc0drv4r2.1+c=r_{c}\int_{0}^{\infty}\frac{dr\,v^{4}}{r^{2}}.

Now

δ=ϵ1+c=1ξ0drv4r2.\delta=\frac{\epsilon}{1+c}=\frac{1}{\xi\int_{0}^{\infty}\frac{dr\,v^{4}}{r^{2}}}.

It is now convenient to define

R1=0drv4r2=d3x4π|ψ0|4,R^{-1}=\int_{0}^{\infty}\frac{dr\,v^{4}}{r^{2}}=\int\frac{d^{3}x}{4\pi}\,\left|\psi_{0}\right|^{4}, (51)

where ψ0=v/r\psi_{0}=v/r is the solution of the Schrödinger equation

Δ2mψ0+Uψ0=0.-\frac{\Delta}{2m}\psi_{0}+U\psi_{0}=0.

RR constitutes a properly defined range of the potential, finite even for potentials which extend all the way to infinity, which correctly captures its extent for the purposes of solving the polaron problem.

This gives us a definition

δ=Rξ.\delta=\frac{R}{\xi}. (52)

At this stage rcr_{c} drops from the equations and no longer needs to be finite. It can be taken to infinity if desired, with the answer for the energy of the polaron (50) as well as the number of particles trapped in the polaron (49) expressed entirely in terms of δ=R/ξ\delta=R/\xi.

III.1.3 Perturbing away from unitary point

We can go further and generalize the above analysis to account for the small deviations away from unitarity using a 1/a1/a expansion. To accomplish this, it is convenient to parametrize aa by a new variable η\eta according to

η=rc1/3ξ2/3a.\eta=\frac{r_{c}^{1/3}\xi^{2/3}}{a}. (53)

Declaring η1\eta\ll 1 is equivalent to saying that we are in the strongly interacting regime (compare with the condition (31) which is violated once we cross over from weak to strong potentials as explained earlier). We then proceed to work out the expansion in powers of η\eta. The advantage of this reparametrization is due to form that Bethe-Peierls boundary conditions take. Indeed, Eq. (26) at large aa where close to unitarity we should write α=β/ϵ2/3\alpha=\beta/\epsilon^{2/3} imply

βϵ2/3(1arc)βrcϵ2/3a=βη.\frac{\beta}{\epsilon^{2/3}(1-\frac{a}{r_{c}})}\approx-\frac{\beta r_{c}}{\epsilon^{2/3}a}=-\beta\eta. (54)

Because rc/aϵ2/3r_{c}/a\sim\epsilon^{2/3} the correction to the nonlinear term and to the RHS of the top equation in (45) that arise from correction to v(y)v(y) in Eq. (36) are of the higher order in power of ϵ\epsilon and thus can be neglected. Thus slighly away from unitarity the only modification to the formalism presented in the previous section is the addition of the βη-\beta\eta term to RHS of the second equation in (45):

A+3ln322A2A3lnϵ=βϵ1/3,2Aβ3+3A2lnϵ=1βη+β3c.\begin{matrix}A+\frac{3\ln 3}{2\sqrt{2}}A^{2}-A^{3}\ln\epsilon&=&\beta\epsilon^{1/3},\cr-\sqrt{2}A-\beta^{3}+3A^{2}\ln\epsilon&=&-1-\beta\eta+\beta^{3}c.\end{matrix} (55)

Notice that now in order to find the leading term in the expansion of β\beta in powers of ϵ\epsilon, we have to solve the cubic equation:

β03(1+c)β0η1=0.\beta_{0}^{3}(1+c)-\beta_{0}\eta-1=0.

The number of real roots of this equation depends on the value of the discriminant Δ=4(η1+c)327(1+c)2\Delta=4(\frac{\eta}{1+c})^{3}-\frac{27}{(1+c)^{2}}. If Δ>0\Delta>0, there are three real roots, and if Δ<0\Delta<0, only a single real root. The critical value of η\eta is obtained by setting Δ=0\Delta=0 and gives ηc=(27(1+c)4)1/3>0\eta_{c}=(\frac{27(1+c)}{4})^{1/3}>0. A positive value of η\eta corresponds to a positive value of the scattering length, which means that we are in the regime where the potential has a single bound state. It is known that when a potential admits ν\nu number of bounds states, then the Gross-Pitaevskii equation can have up to 2ν+12\nu+1 solutions [22]. This means that the approach outlined above can in principle be used to construct other solutions for the Gross-Pitaevskii equation, but since we are interested only in the ground state physics, we do not consider them here. Instead, just as already elaborated above we are going to assume that |η|1\left|\eta\right|\ll 1, so that we are in the regime where there is only a single solution exists and we can do expansion in η\eta on top of the expansion in ϵ\epsilon. The first order correction in 1/a1/a corresponds to the first order correction in η\eta. Note that the case of large and positive scattering length corresponds to the presence of the bound state with energy Ebinding=12ma2E_{\text{binding}}=-\frac{1}{2ma^{2}}. Since rc/a=ηϵ2/3r_{c}/a=\eta\epsilon^{2/3}, in order to capture 1/a21/a^{2} effects we would need to construct the further corrections to the matching equations that would include higher powers of ϵ\epsilon and therefore depend on other details of the potential. Therefore, in the lowest order approximation in η\eta that we are going to employ, we are not sensitive to the presence of the bound state even if aa is positive.

Section VII further elaborates on what we expect to happen in the regime where a>0a>0 and a bound state is present once we move away from the unitary point. In particular, we expect that in this regime the behavior of the polaron strongly depends on the details of the impurity-boson potential UU.

Let us go back to staying in the vicinity of the unitary point by demanding |η|1|\eta|\ll 1. Since η(1+c)1/3=δ1/3ξa\frac{\eta}{(1+c)^{1/3}}=\frac{\delta^{1/3}\xi}{a}, solution to the system (55) reads:

A\displaystyle A =\displaystyle= δ1/3(1+δ1/3ξ3a)(3ln322+23)δ2/3ln32ξδa+2(1+2δ1/3ξ3a)δlnδ+𝒪(δ),\displaystyle\delta^{1/3}\left(1+\frac{\delta^{1/3}\xi}{3a}\right)-\left(\frac{3\ln 3}{2\sqrt{2}}+\frac{\sqrt{2}}{3}\right)\delta^{2/3}-\frac{\ln 3}{\sqrt{2}}\cdot\frac{\xi\delta}{a}+2\left(1+\frac{2\delta^{1/3}\xi}{3a}\right)\delta\ln\delta+\mathcal{O}(\delta), (56)
βϵ1/3\displaystyle\beta\epsilon^{1/3} =\displaystyle= δ1/3(1+δ1/3ξ3a)23δ2/3+(1+δ1/3ξ3a)δlnδ+𝒪(δ).\displaystyle\delta^{1/3}\left(1+\frac{\delta^{1/3}\xi}{3a}\right)-\frac{\sqrt{2}}{3}\delta^{2/3}+\left(1+\frac{\delta^{1/3}\xi}{3a}\right)\delta\ln\delta+\mathcal{O}(\delta). (57)

Note that at this step rcr_{c} dropped out just like it did in the previous subsection of this paper, getting replaced by RR via the definition (52). RR is defined even with for potentials which extend all the way to infinity, so the results obtained here, just as elsewhere in this paper, are valid as long as RR can be defined via Eq. (51) and is finite.

Repeating the same steps that lead to (49) and (50) we finally obtain the expression for the number of trapped bosons and the energy of the polaron:

N\displaystyle N =\displaystyle= 4πn0ξ3[δ13532δ23+2δlnδ++ξδ133a(δ132δ23+4δlnδ+)],\displaystyle 4\pi n_{0}\xi^{3}\left[\delta^{\frac{1}{3}}-\frac{5}{3\sqrt{2}}\delta^{\frac{2}{3}}+2\delta\ln\delta+\dots+\frac{\xi\delta^{\frac{1}{3}}}{3a}\left(\delta^{\frac{1}{3}}-\sqrt{2}\delta^{\frac{2}{3}}+4\delta\ln\delta+\dots\right)\right], (58)
E\displaystyle E =\displaystyle= πn0ξm[3δ1322δ23+4δlnδ++ξδ13a(2δ13423δ23+4δlnδ+)].\displaystyle-\frac{\pi n_{0}\xi}{m}\left[3\delta^{\frac{1}{3}}-2\sqrt{2}\delta^{\frac{2}{3}}+4\delta\ln\delta+\dots+\frac{\xi\delta^{\frac{1}{3}}}{a}\left(2\delta^{\frac{1}{3}}-\frac{4\sqrt{2}}{3}\delta^{\frac{2}{3}}+4\delta\ln\delta+\dots\right)\right]. (59)
Refer to caption
Figure 1: Polaron energy EE away from unitarity for the square well impurity-bath potential computed at two different values of δ\delta. The dashed black lines correspond to the analytical expression given by Eq. (58). Plot as a function of ξ/a\xi/a in units of Eξ=ξn0/(2m)E_{\xi}=\xi n_{0}/(2m).
Refer to caption
Figure 2: Number of trapped bosons NN away from unitarity for the square well impurity-bath potential computed at two different values of δ\delta. The dashed black lines correspond to the analytical expression as given by Eq. (58). Plot as a function of ξ/a\xi/a in units of Nξ=ξ3n0N_{\xi}=\xi^{3}n_{0}.

We verify the above expressions by numerically solving the Gross-Pitaevskii equation (17), where we choose UU to be the square well potential. The analytic expression for the scattering length in this potential is well known, so it is easy to tune the strength of the potential to get the desired value of aa. Far away from impurity one can use the asymptotic solution ϕ=1+uz\phi=1+\frac{u}{z}, where uu is given by Eq. (28). With two values of parameter AA, AminA_{\text{min}} and AmaxA_{\text{max}}, our algorithm performs the Newton bisection untill we find the value of AA such that the derivative of the solution at the origin is zero. The graphs of the polaron energy and the number of trapped bosons slighly away from unitarity are presented in Fig. 1 and Fig. 2.

III.1.4 a/ξa/\xi corrections for weak potentials

Now that we have established the machinery for solving the Gross-Pitaevskii equation in both regions, let us revisit the case of the weak potential and find the next order correction to the energy (32) in powers of the scattering length aa. Note that the contribution to the energy from the first interval goes in powers of a/rca/r_{c}, while in the second interval in powers of a/ξ=aϵ/rca/\xi=a\epsilon/{r_{c}}, so in principle, the energy expansion should be in powers of (arc)iϵj(\frac{a}{r_{c}})^{i}\epsilon^{j}. Moreover, from the equation one can show that the contribution of the region z[0,ϵ]z\in[0,\epsilon] to the energy goes as n0am(ϵ+aξϵ)\sim\frac{n_{0}a}{m}(\epsilon+\frac{a}{\xi}\epsilon), while the region z[ϵ,]z\in[\epsilon,\infty] contributes n0am(1+aξ)\sim\frac{n_{0}a}{m}(1+\frac{a}{\xi}), so in the limit ϵ0\epsilon\rightarrow 0, only the second region is important. The a2\sim a^{2} contribution to the energy comes from a2rc2ϵ2\frac{a^{2}}{r_{c}^{2}}\epsilon^{2} term, so in order to find the energy up to order a2a^{2}, one needs to find the expression for the amplitude AA in the second region up-to order ϵ2\epsilon^{2}. The structure of equations in (29) tells us that the matching of amplitudes determines AA, while the matching of derivatives determines α\alpha. Since we need to know only AA up to order ϵ2\epsilon^{2}, we need to correct the first equation by the terms of order ϵ2\epsilon^{2}, while the second only by the terms of order ϵ\epsilon. Notice that iteration of the RHS of Eq. (22) will produce terms of higher order than we need, so this tells us that the result should be independent on the further details of the potential. Having in mind that AϵA\sim\epsilon, in the second interval we expand Eq. (41) up to ϵ2\epsilon^{2} terms to produce:

A+3ln322A22ϵA=ϵ(α1),2A=α1arc1.\begin{matrix}A+\frac{3\ln 3}{2\sqrt{2}}A^{2}-\sqrt{2}\epsilon A&=&\epsilon(\alpha-1),\cr-\sqrt{2}A&=&\frac{\alpha}{1-\frac{a}{r_{c}}}-1.\end{matrix} (60)

Looking for the solution of this system in the form α=α0+ϵα1\alpha=\alpha_{0}+\epsilon\alpha_{1} and A=ϵA0+ϵ2A1A=\epsilon A_{0}+\epsilon^{2}A_{1}, we get

α\displaystyle\alpha =\displaystyle= 1arc+2arc(1arc)+𝒪(ϵ3lnϵ),\displaystyle 1-\frac{a}{r_{c}}+\sqrt{2}\frac{a}{r_{c}}\left(1-\frac{a}{r_{c}}\right)+\mathcal{O}(\epsilon^{3}\ln\epsilon), (61)
A\displaystyle A =\displaystyle= arcϵ(4+3ln3)22(arcϵ)2+𝒪(ϵ3lnϵ).\displaystyle-\frac{a}{r_{c}}\epsilon-\frac{(4+3\ln 3)}{2\sqrt{2}}\left(\frac{a}{r_{c}}\epsilon\right)^{2}+\mathcal{O}(\epsilon^{3}\ln\epsilon). (62)

The energy of the polaron is given by

E=λ2d3x(|ψ|4n02)=2πλn02ξ30𝑑zz2(ϕ41).E=-\frac{\lambda}{2}\int d^{3}x\left(|\psi|^{4}-n_{0}^{2}\right)=-2\pi\lambda n_{0}^{2}\xi^{3}\int_{0}^{\infty}dzz^{2}\left(\phi^{4}-1\right). (63)

The region from 0 to ϵ\epsilon does not contribute, while the second interval produces:

ϵ𝑑zz2((1+uz)41).\int_{\epsilon}^{\infty}dzz^{2}\left(\left(1+\frac{u}{z}\right)^{4}-1\right). (64)

Once again, we use Eq. (41) with AA given by Eq. (61) to compute the integral in Eq. (64) and expand the result up-to ϵ2\epsilon^{2} terms. Plugging this into Eq. (63), we finally produce

E=2πn0am(1+2aξ+).E=\frac{2\pi n_{0}a}{m}\left(1+\frac{\sqrt{2}a}{\xi}+\dots\right). (65)

The second term in the brackets was obtained before in Ref. [28]. This shows that the Gross-Pitaevskii approach discussed above is well suited for studying both weak potentials and potentials tuned to unitarity.

III.1.5 Quasiparticle properties of the Bose polaron

Having established the expressions for the solution of the Gross-Pitaevskii equation, now we can compute other key quasiparticle properties such as quasiparticle residue ZZ and Tan’s contact CC. This was already reported in Ref. [1]. Let us reproduce it here for completeness.

The residue ZZ quantifies the overlap between the solutions in presence and absence of the impurity. Within the GP treatment, this is given by [29]

lnZ=d3x|ψ(x)n0|2.\ln Z=-\int d^{3}x\,|\psi(x)-\sqrt{n_{0}}|^{2}.

At unitarity, the above analysis shows that to leading order

lnZ=2πn0ξ3δ2/3+.\ln Z=-\sqrt{2}\pi n_{0}\xi^{3}\delta^{2/3}+\dots.

Another key quasiparticle property is the impurity-bath Tan’s contact, which quantifies the change in the polaron energy in response to a small change of the inverse scattering length,

C=8πmE(a1).C=-8\pi m\,\frac{\partial E}{\partial\left(a^{-1}\right)}.

Using the expression (58) for energy of the polaron slightly away from unitarity, we get:

C=16π2n0ξ2(δ2/3223δ+2δ4/3lnδ+).C=16\pi^{2}n_{0}\xi^{2}\left(\delta^{2/3}-\frac{2\sqrt{2}}{3}\delta+2\delta^{4/3}\ln\delta+\dots\right). (66)

We note that an alternative definition of the contact is based on the impurity-bath density-density correlator evaluated at the core radius, C~=16π2rc2|ψ(rc)|2\tilde{C}=16\pi^{2}r_{c}^{2}\left|\psi(r_{c})\right|^{2}. Using the expression (46) for the amplitude β\beta of the Gross-Pitaevskii equation at the core radius, it is easy to show that both expressions for contact agree in the universal regime, where the effects of impurity-boson potentials are captured by a single parameter δ\delta.

III.2 Summary: the solution of the Gross-Pitaevskii equation

We collect here the main features of the solutions worked out above. In the previous subsection we obtained the solution to the Gross-Pitaevskii equation (17) both when the scattering length in the potential UU was small, and when the potential UU was tuned to unitarity. In the latter case we could obtain the analytic solution when the range of the potential RR was much smaller than the scattering length ξ\xi, as an expansion in powers of R/ξR/\xi which corresponded to the asymptotic behavior of the polaron in a very weakly interacting condensate.

The method discussed above allows in principle to find the solution for any negative scattering length, from small aa to infinite aa. However, the general expression is cumbersome. Here we only give the answer in the limiting cases of small aa and large aa.

Let us summarize how the solution looks. In all cases, the normalized solution ϕ=ψ/n0\phi=\psi/\sqrt{n_{0}} to Gross-Pitaevskii equation

Δϕ2m+Uϕ=μϕ(1|ϕ|2)-\frac{\Delta\phi}{2m}+U\phi=\mu\phi\left(1-\left|\phi\right|^{2}\right)

is constructed out of a reference function v(y)v(y) which is the solution of the zero energy Schrödinger equation

d2vdy2+2mrc2U(y)v=0.-\frac{d^{2}v}{dy^{2}}+2mr_{c}^{2}U(y)\,v=0. (67)

Here y=r/rcy=r/r_{c}, rcr_{c} is the radius of the potential, so that U(r)=0U(r)=0 for all r>rcr>r_{c} or y>1y>1. v(0)=0v(0)=0, while v(1)=1v(1)=1.

When aa is small so that

|a|3ξ2rc,|a|^{3}\ll\xi^{2}r_{c}, (68)

the solution is

ψ(r){rcr(1arc)v(rrc),r<rc,1are2rξ,r>rc.\psi(r)\approx\left\{\begin{matrix}\frac{r_{c}}{r}\left(1-\frac{a}{r_{c}}\right)v\left(\frac{r}{r_{c}}\right),&r<r_{c},\cr 1-\frac{a}{r}e^{-\frac{\sqrt{2}r}{\xi}},&r>r_{c}.\end{matrix}\right. (69)

This can be extracted from Eqs. (24), (28) and (30). Note that Eq. (69) is valid even if a/rc>1a/r_{c}>1, as long as Eq. (68) is valid.

On the other hand, if

|a|3ξ2rc,|a|^{3}\gg\xi^{2}r_{c}, (70)

then the solution is

ψ(r){ξ2/3R1/3rv(rrc),r<rc,1+ξ2/3R1/3re2rξ,r>rc.\psi(r)\approx\left\{\begin{matrix}\frac{\xi^{2/3}R^{1/3}}{r}\,v\left(\frac{r}{r_{c}}\right),&r<r_{c},\cr 1+\frac{\xi^{2/3}R^{1/3}}{r}e^{-\frac{\sqrt{2}r}{\xi}},&r>r_{c}.\end{matrix}\right. (71)

This in turn can be extracted from Eqs. (33), (40) and (46).

Clearly the solution behaves as if when |a|\left|a\right| is increased past ξ2/3R1/3\xi^{2/3}R^{1/3}, aa needs to be simply replaced by ξ2/3R1/3-\xi^{2/3}R^{1/3} in the solution.

The energy and the particle number corresponding to this solution have been worked out above in Eqs. (49) and (50), and summarized in Eqs. (5) and (6). We also worked out perturbative corrections to the solution for small aa and for large aa in Sections III.1.4 and III.1.3 respectively, with the results for the energy in particular summarized in Eqs. (65) and (58).

IV Fluctuational corrections to the Gross-Pitaevskii equation

Let us look at the condensate density at and nearby the point where impurity is located. This can be extracted from the solution of the Gross-Pitaevskii equation found above. The density grows as one approaches the center of the polaron. At r<rcr<r_{c}, the solution is given by Eq. (33). Here vv is the solution of the Schrödinger equation (34), so it takes values of the order of 11 for all 0<r<rc0<r<r_{c}. The magnitude of the solution is controlled by the coefficient in front of v(y)v(y), which is of the order of 1/ϵ2/31/\epsilon^{2/3}. Therefore, the density of the condensate at the origin is roughly

nn0ϵ4/3.n\sim\frac{n_{0}}{\epsilon^{4/3}}.

We can now estimate the gas parameter at the position of the condensate

naB3=n0ξ4/3aB3R4/3n1/3aB7/3R4/3.na_{B}^{3}=\frac{n_{0}\xi^{4/3}a_{B}^{3}}{R^{4/3}}\sim n^{1/3}\frac{a_{B}^{7/3}}{R^{4/3}}.

The condition that this parameter is small, or

n0ϵ4/3aB31,\frac{n_{0}}{\epsilon^{4/3}}a_{B}^{3}\ll 1, (72)

is equivalent, upon expressing ϵ\epsilon in terms of n0n_{0}, aBa_{B}, and RR, to

RaB(n0aB3)1/4.R\gg a_{B}\left(n_{0}a_{B}^{3}\right)^{1/4}. (73)

Under this condition, the gas remains weakly interacting everywhere, including at the position of the impurity. We expect that the fluctuational corrections remain small under these conditions and the results obtained from Gross-Pitaevskii equation remain valid.

Let us briefly note that the criterion (73) puts a lower bound on RR. But at the same time, our solution of the Gross-Pitaevskii equation relied on RR being much smaller than ξ\xi. This criterion can be rewritten as

δ=RξRaBn0aB31.\delta=\frac{R}{\xi}\sim\frac{R}{a_{B}}\sqrt{n_{0}a_{B}^{3}}\ll 1.

Combining this with Eq. (73) we find the window of RR where our approach works, given by

(n0aB3)1/4RaB1n0aB3,\left(n_{0}a_{B}^{3}\right)^{1/4}\ll\frac{R}{a_{B}}\ll\frac{1}{\sqrt{n_{0}a_{B}^{3}}},

as was advertised earlier in Eq. (4).

Let us now present the formalism where we formally derive this criterion. We follow the standard approach to fluctuations in a weakly interacting Bose gas. Denote the solution to the Gross-Pitaevskii equation (17) as ψ0\psi_{0} and write

ψ=ψ0+φ.\psi=\psi_{0}+\varphi. (74)

We now substitute this into the action (12) and expand the action up to the quadratic terms in φ\varphi. These steps are standard in the theory of weakly interacting Bose gas. The only new aspect of this problem here is the impurity potential UU present in our theory. The result of the expansion reads

Sq\displaystyle S_{q} =\displaystyle= d3xdτ[φ¯(τμΔ2m+U+2λψ02)φ+\displaystyle\int d^{3}x\,d\tau\left[\bar{\varphi}\left(\partial_{\tau}-\mu-\frac{\Delta}{2m}+U+2\lambda\psi_{0}^{2}\right)\varphi+\right. (76)
λ2ψ02(φ2+φ¯2)]\displaystyle\left.\frac{\lambda}{2}\psi_{0}^{2}\left(\varphi^{2}+\bar{\varphi}^{2}\right)\right]

Here SqS_{q} denotes the part of the action quadratic in the field φ\varphi.

This action can now be used to calculate the density of particles which are expelled from the condensate by interactions and are not contained within the solution to the Gross-Pitaevskii equation. This density must be much smaller than the density contained within the solution to the Gross-Pitaevskii equation in order for the mean field approximation which led to the Gross-Pitaevskii equation to remain valid. In the absence of the potential UU this calculation is standard and the answer is given in textbooks, leading to the criterion n0aB31n_{0}a_{B}^{3}\ll 1 as the condition for the applicability of the Gross-Pitaevskii equation. Our aim is to repeat this calculation in the presence of the impurity potential UU.

The density of particles can be accessed via calculating the Green’s functions of the field φ\varphi. As is standard in this approach, we define the matrix of Green’s functions 𝒢{\cal G} which include both normal and anomalous Green’s functions, according to

𝒢(x1,x2,τ)=(φ(x1,τ)φ¯(x2,0)φ(x1,τ)φ(x2,0)φ¯(x1,τ)φ¯(x2,0)φ¯(x1,τ)φ(x2,0)).{\cal G}(x_{1},x_{2},\tau)=-\left(\begin{matrix}\left\langle\,\varphi(x_{1},\tau)\bar{\varphi}(x_{2},0)\,\right\rangle&\left\langle\,\varphi(x_{1},\tau)\varphi(x_{2},0)\,\right\rangle\cr\left\langle\,\bar{\varphi}(x_{1},\tau)\bar{\varphi}(x_{2},0)\,\right\rangle&\left\langle\,\bar{\varphi}(x_{1},\tau)\varphi(x_{2},0)\,\right\rangle\end{matrix}\right).

It is convenient to work with 𝒢{\cal G} in the frequency domain, by Fourier transforming it over τ\tau resulting in 𝒢(x1,x2,ω){\cal G}(x_{1},x_{2},\omega). Note that it is not as straightforward to Fourier transform 𝒢{\cal G} in space, because the presence of the impurity makes 𝒢{\cal G} dependent on both x1x_{1} and x2x_{2} and not just on their difference as would have been the case in the Bose-Einstein condensate without the external potential UU.

G satisfies the following matrix equation

𝒳(x1)𝒢(x1,x2,ω)=δ(x1x2),{\cal X}(x_{1}){\cal G}(x_{1},x_{2},\omega)=-\delta(x_{1}-x_{2}), (77)

where 𝒳{\cal X} is the operator-valued matrix

𝒳={\cal X}= (78)
(iωΔ2mμ+U+2λψ02λψ02λψ02iωΔ2mμ+U+2λψ02).\left(\begin{matrix}-i\omega-\frac{\Delta}{2m}-\mu+U+2\lambda\psi_{0}^{2}&\lambda\psi_{0}^{2}\cr\lambda\psi_{0}^{2}&i\omega-\frac{\Delta}{2m}-\mu+U+2\lambda\psi_{0}^{2}\end{matrix}\right).

In the definition of 𝒳{\cal X} the Laplacian Δ\Delta implies differentiation over x1x_{1}, while ψ0\psi_{0} and UU depend on x1x_{1}. These equations are difficult to solve exactly given this explicit x1x_{1} dependence.

Instead of trying to solve these exactly, we employ local density approximation. That includes working with a Wigner transform of 𝒢{\cal G} defined as

𝒢(x,p,ω)=d3y𝒢(x+y/2,xy/2,ω)ei𝐲𝐩.{\cal G}(x,p,\omega)=\int d^{3}y\,{\cal G}(x+y/2,x-y/2,\omega)\,e^{-i{\bf y}\cdot{\bf p}}.

This object can be calculated approximately by replacing Δ\Delta Eq. (78) by p2-p^{2} and working with it as if VV and ψ0\psi_{0} are constants, despite their explicit dependence on x1x_{1}. Within this approximation 𝒢(x,p,ω){\cal G}(x,p,\omega) is given simply by the inverse of this matrix derived from 𝒳{\cal X}

(iω+p22mμ+U+2λψ02λψ02λψ02iω+p22mμ+U+2λψ02).\left(\begin{matrix}-i\omega+\frac{p^{2}}{2m}-\mu+U+2\lambda\psi_{0}^{2}&\lambda\psi_{0}^{2}\cr\lambda\psi_{0}^{2}&i\omega+\frac{p^{2}}{2m}-\mu+U+2\lambda\psi_{0}^{2}\end{matrix}\right).

In particular, the upper left corner of that inverse defines the usual normal Green’s function and gives

G(x,p,ω)=iω+p22mμ+U(x)+2λψ02(x)ω2+(p22m+U(x)+λψ02(x))2λ2ψ04.G(x,p,\omega)=-\frac{i\omega+\frac{p^{2}}{2m}-\mu+U(x)+2\lambda\psi_{0}^{2}(x)}{\omega^{2}+\left(\frac{p^{2}}{2m}+U(x)+\lambda\psi_{0}^{2}(x)\right)^{2}-\lambda^{2}\psi_{0}^{4}}. (79)

Eq, (79) is by no means exact. It is the result of the local density approximation which relies on ψ0(x)\psi_{0}(x) and U(x)U(x) being slow varying on the scale of the coherence length ξ\xi, which itself defines the values of the typical momenta pp. Because of this, it is sometimes also referred to as gradient expansion, with Eq. (79) being the first term in it. An explicit procedure allowing to compute further terms in this expansion is available, but will not be needed here.

Now in practice ψ0(x)\psi_{0}(x) varies roughly on the scale of ξ\xi, so it is at the limit of the applicability of the local density approximation. U(x)U(x) varies on the scale of r0ξr_{0}\ll\xi so it definitely breaks the conditions of applicability of Eq. (79). Nonetheless in the absence of better and as easily accessible technique, and mindful that our goal is not to calculate the fluctuational particle density but just to estimate it, we will continue the calculation using Eq. (79).

To calculate the density of particles due to fluctuations we need to calculate δn=φ¯(x,0)φ(x,0)\delta n=\left\langle\,\bar{\varphi}(x,0)\varphi(x,0)\,\right\rangle. This can be found by the following succession of steps. First we evaluate

limτ0dω2πG(x,p,ω)eiωτ,-\lim_{\tau\rightarrow 0^{-}}\int\frac{d\omega}{2\pi}\,G(x,p,\omega)\,e^{-i\omega\tau},

with the result

δn(x,p)=p22mμ+U(x)+2λψ02(x)E(p,x)2E(p,x),\delta n(x,p)=\frac{\frac{p^{2}}{2m}-\mu+U(x)+2\lambda\psi_{0}^{2}(x)-E(p,x)}{2E(p,x)},

where

E(p,x)=(p22mμ+U(x)+2λψ02(x))2λ2ψ04E(p,x)=\sqrt{\left(\frac{p^{2}}{2m}-\mu+U(x)+2\lambda\psi_{0}^{2}(x)\right)^{2}-\lambda^{2}\psi_{0}^{4}} (80)

can be interpreted as a local in space dispersion of the Bogoliubov quasiparticles. The density of particles due to fluctuations can be evaluated using

δn(x)=d3p(2π)3δn(x,p).\delta n(x)=\int\frac{d^{3}p}{(2\pi)^{3}}\delta n(x,p). (81)

To evaluate the remaining integral over the momentum we need the explicit form of ψ0\psi_{0}. Let us do it at UU tuned to unitarity. We can then use Eq. (71) for ψ0\psi_{0}. In particular, with rr representing the distance of the point xx to the origin, for rrcr\gg r_{c} we use that

λψ02μ(1+2ξ2/3R1/3re2rξ+)\lambda\psi_{0}^{2}\approx\mu\left(1+\frac{2\xi^{2/3}R^{1/3}}{r}e^{-\frac{\sqrt{2}r}{\xi}}+\dots\right) (82)

At the same time, at these values of rr beyond the range of the potential, U=0U=0. This can be substituted into the integral in Eq. (81), and the integral can be evaluated perturbatively in powers of the second term in Eq. (82) which is small when rrcr\gg r_{c}. Denoting this term as

ζ=2ξ1/3R2/3re2rξ\zeta=2\frac{\xi^{1/3}R^{2/3}}{r}e^{-\frac{\sqrt{2}r}{\xi}}

we find

δn(x)=δn0+(mμ)3/232ζlnζ.\delta n(x)=\delta n_{0}+\frac{(m\mu)^{3/2}}{32}\zeta\ln\zeta.

Here δn0(x)\delta n_{0}(x) is the standard answer for the density of particles expelled from the condensate in the absence of any external potential, given by δn0=4(mμ)3/2/(3π2)\delta n_{0}=-4(m\mu)^{3/2}/(3\pi^{2}).

Let us compare the density of particles expelled from the condensate to the excess density of particles in the Gross-Pitaevskii solution compared to the density in the absence of impurity. The latter is extracted from Eq. (82) and is simply n0ζn_{0}\zeta. Thus the condition that the density of particles expelled from the condensate is much smaller than the density in the solution to Gross-Pitaevskii solution is

(mμ)3/2ζlnζn0ζ.(m\mu)^{3/2}\zeta\ln\zeta\ll n_{0}\zeta. (83)

Recalling that μmn0aB\mu m\sim n_{0}a_{B} and neglecting the logarithm in (83) this is equivalent to

n0aB31.n_{0}a_{B}^{3}\ll 1.

Thus we arrive at the conclusion that at rrcr\gg r_{c} the fluctuational corrections to the solution of the Gross-Pitaevskii equation are small simply if the interactions in the Bose gas are weak.

Now suppose we bring rr close to rcr_{c}. At this point UU is still zero, but the estimate for λψ0\lambda\psi_{0} again taken from Eq. (71) produces

λψ02μϵ4/3.\lambda\psi_{0}^{2}\sim\frac{\mu}{\epsilon^{4/3}}.

Evaluating Eq. (81) again produces

δn(x)(mμ)3/2ϵ2.\delta n(x)\sim\frac{(m\mu)^{3/2}}{\epsilon^{2}}.

The condition that this is much smaller than the density from the Gross-Pitaevskii solution gives

(mμ)3/2ϵ2n0ϵ4/3.\frac{(m\mu)^{3/2}}{\epsilon^{2}}\ll\frac{n_{0}}{\epsilon^{4/3}}.

Again using mμn0aBm\mu\sim n_{0}a_{B}, we rewrite this as

naB3ϵ4/31,\frac{na_{B}^{3}}{\epsilon^{4/3}}\ll 1,

equivalent to Eq. (72). Note that this is stronger than just requiring the gas to be weakly interacting. Thus we reproduced the condition (73) introduced earlier by qualitative reasoning.

Finally, we note that if r<rcr<r_{c}, the energy spectrum (80) becomes poorly defined for small enough p1/r0p\lesssim 1/r_{0} due to U1/(mr02)U\sim-1/(mr_{0}^{2}). This is to be expected as local density approximation should break down for such small rr. One way to get around it is to restrict the momenta in the integral in Eq. (81) to be larger than 1/r01/r_{0}. However, this would constitute an uncontrolled approximation and would in any case be beyond what we need to obtain the rough estimate of the fluctuations, the task in which we already succeeded by limiting rr to r>rcr>r_{c}.

V Finite range boson-boson potential

Here we would like to discuss the effects of a finite-ranged VbbV_{bb} on the solution to the Gross-Pitaevskii equation when the impurity potential UU is close to the unitary limit. We will see that, as promised earlier, these effects are mild and mostly quantitative, without changing the main qualitative aspects of the solution.

A finite ranged VbbV_{bb} changes the Gross-Pitaevskii equation (17) to read

Δψ(x)2m+U(x)ψ(x)=ψ(x)(μd3yVbb(xy)|ψ(y)|2).-\frac{\Delta\psi(x)}{2m}+U(x)\psi(x)=\psi(x)\left(\mu-\int d^{3}y\ V_{bb}(x-y)\left|\psi(y)\right|^{2}\right). (84)

Remember that in the local theory we described above the expansion was constructed by matching the asymptotic solution far away from the impurity with the solution in the region r<rcr<r_{c}. For the theory at hand the asymptotic behaviour of the solution in the regime rrcr\gg r_{c} is expected to be roughly the same as in the local case, provided that ϵ1\epsilon\ll 1 and rbrcr_{b}\lesssim r_{c}. The leading order solution in the region r<rcr<r_{c} is independent of rbr_{b}, and since the structure of the higher order perturbative terms depends on the structure of the solutions discussed above, we expect that the effect of nonlocal interaction is to modify the perturbative terms without changing the scaling in ϵ\epsilon. More formally, the structure of the system of Eqs. (45) is such that all numeric coefficients are of the order of unity and this allows to solve the system in powers of ϵ1/3\epsilon^{1/3}. The nonlocal generalization would introduce more terms that should depend on a rb/rcr_{b}/r_{c}. Provided that rb/rc1r_{b}/r_{c}\sim 1, we can still solve the resultant system of equation in powers of ϵ1/3\epsilon^{1/3}, so the expansion for energy and the number of the trapped bosons would have a similar form as in the local scenario, but the values of the coefficient cannot be determined analytically. As such, we performed extensive numerical evaluations of this equation.

First, the energy of the polaron is given by

E=12d3xd3yVbb(xy)(|ψ(x)|2|ψ(y)|2n02).E=-\frac{1}{2}\int d^{3}x\ d^{3}y\ V_{bb}(x-y)(|\psi(x)|^{2}|\psi(y)|^{2}-n_{0}^{2}). (85)

Here n0n_{0} is the uniform density of the gas in the absence of the impurity. The number of trapped bosons is given by the same expression as in the local Gross-Pitaevskii theory

N=d3x[|ψ|2n0].N=\int d^{3}x\left[|\psi|^{2}-n_{0}\right]. (86)

In order to make contact with our previous discussion of the zero-ranged boson-boson potentials, it is is convenient to define VbbV_{bb} in such a way that we formally retrieve expression given by (7) once the range rbr_{b} of the boson-boson interaction is taken to zero. This also implies that n0=μλn_{0}=\frac{\mu}{\lambda} as for the local case. In our numerical study we will use a purely repulsive Gaussian boson-boson potential of the form

Vbb=λπ3/2rb3e(xy)2rb2.V_{bb}=\frac{\lambda}{\pi^{3/2}r_{b}^{3}}e^{-\frac{(x-y)^{2}}{r_{b}^{2}}}. (87)

An advantage of using this potential is that for spherically symmetric solutions one can explicitly perform the angular integration on the RHS of Eq. (84), so the resultant equation becomes one-dimensional. For the potential given in (87) this gives

d3yVbb(xy)|ψ(y)|2\int d^{3}yV_{bb}(x-y)\left|\psi(y)\right|^{2}\rightarrow
λπrbx0y𝑑ye(xy)2rb2(1e4xyrb2)|ψ(y)|2.\frac{\lambda}{\sqrt{\pi}r_{b}x}\int_{0}^{\infty}ydy\,e^{-\frac{(x-y)^{2}}{r_{b}^{2}}}\left(1-e^{-\frac{4xy}{r_{b}^{2}}}\right)|\psi(y)|^{2}. (88)

Since the Gross-Pitaevskii theory treats boson-boson potential in the Born-approximation, the relation between the coupling constant λ\lambda and the boson-boson scattering length aBa_{B} is the same as in the local theory: λ=4πaB/m\lambda=4\pi a_{B}/m.

To find the ground state of Eq. (84), we perform evolution in imaginary time τ\tau:

τψ=12m(2ψx2+2xψx)+(U(x)μ)ψ(x)+-\partial_{\tau}\psi=-\frac{1}{2m}\left(\frac{\partial^{2}\psi}{\partial x^{2}}+\frac{2}{x}\frac{\partial\psi}{\partial x}\right)+(U(x)-\mu)\psi(x)+
λψ(x)πrbx0y𝑑ye(xy)2rb2(1e4xyrb2)|ψ(y)|2.\frac{\lambda\psi(x)}{\sqrt{\pi}r_{b}x}\int_{0}^{\infty}ydy\,e^{-\frac{(x-y)^{2}}{r_{b}^{2}}}\left(1-e^{-\frac{4xy}{r_{b}^{2}}}\right)|\psi(y)|^{2}. (89)

Here the initial state at τ=0\tau=0 is taken to be the solution of the Gross-Pitaevskii equation (17) given by Ref. (71). As τ\tau\rightarrow\infty, this produces the solution to the Eq. (84). We discretize the spatial part of the above equation, so that (89) becomes a system of coupled nonlinear equations. The continuum limit is retrieved by extrapolating numerical results to zero step-size.

It is convenient to introduce new dimensionless parameter γ=rbrc\gamma=\frac{r_{b}}{r_{c}}, so that in the limit γ0\gamma\rightarrow 0, we retrieve the original Gross-Pitaevskii equation. Carrying out the numerical procedure, we find that for the fixed value of ϵ\epsilon, as we increase γ\gamma from zero to some finite value such that γ1\gamma\sim 1, the solutions to the Eq. (84) evolve in a way that the amplitude of the solution at the origin is an increasing function of γ\gamma and all solutions approach the same asymptotic value far away from the impurity as indicated in Fig. 3. Eq. (86) tells us that for a fixed rcr_{c} and ξ\xi, increasing rbr_{b} increases the number of trapped particles which in turn lowers the energy of the polaron.

Refer to caption
Figure 3: Solution of the nonlocal GP equation for various values of γ\gamma at fixed ϵ=0.05\epsilon=0.05.

We test this assertion numerically by studying the scaling of the amplitude at the origin and show that it indeed scales as ϵ2/3\sim\epsilon^{-2/3} as is shown in Fig. 4.

Refer to caption
Figure 4: Scaling of the amplitude of the nonlocal GP equation at the origin for various values of γ\gamma. All lines are parallel to the γ=0\gamma=0 line which has ϵ2/3\sim\epsilon^{-2/3} scaling predicted by local theory, indicating that this scaling survives when γ\gamma is small.
Refer to caption
Figure 5: Amplitudes of the wavefunction close to the impurity. Solid lines show the result of the non-local theory with boson-boson range rb=rc/(4ϵ)r_{b}=r_{c}/(4\epsilon), while dashed lines are obtained setting rb=0r_{b}=0 (i.e., are obtained from the usual local GP equation).
Refer to caption
Figure 6: Amplitude of the wavefunction obtained in the case rbrcr_{b}\ll r_{c}. The dashed line shows the result for γ=0.0025/ϵ\gamma=0.0025/\epsilon, while the solid line shows the result of the local GP equation (γ\gamma=0).

The discussion above shows that introducing a finite-ranged boson-boson interaction introduces quantitative but non qualitative changes to the problem. It is interesting now to study what happens if one tries to shrink the other range in the problem, the one between the bosons and the impurity. To do so, we decrease rcr_{c} at fixed rbr_{b} and ξ\xi. In the language of ϵ\epsilon and γ\gamma, this corresponds to the limit ϵ0\epsilon\rightarrow 0, γ\gamma\rightarrow\infty with ϵγ\epsilon\gamma kept fixed, which is the limit of a contact boson-impurity interaction. Fig. 5 shows that making the range of the impurity potential smaller, while keeping the range of the boson interaction and the healing length fixed, significantly increases the density at the origin. We expect that the density at the origin will diverge in the limit of contact impurity interactions, however since we cannot access regime of very small value of ϵ\epsilon and large values of γ\gamma numerically, we leave the case of the contact impurity interaction for future work.

In the intermediate regime, where rbrcr_{b}\ll r_{c} and rb/ξr_{b}/\xi fixed, we studied the scaling of the amplitude at the origin and found that it follows the ϵ2/3\sim\epsilon^{-2/3} scaling as is shown in Fig.  6. Thus in the limit rbrcr_{b}\ll r_{c} and even rbrcr_{b}\sim r_{c} we expect that solutions to the Gross-Pitaevskii equation would qualitatively look similar to the rb=0r_{b}=0 case explored analytically. Numerics shows that for γ=1\gamma=1 energy of the polaron is about 10 percent lower than the energy of γ=0\gamma=0 case.

VI Expanding about the unperturbed condensate

An alternative method of evaluating the functional integral (13) exists. Instead of calculating it by the saddle point approximation, that is, by minimizing the action and expanding it about the minimum, we expand about a flat unperturbed condensate

ψ=n0=μλ,\psi=\sqrt{n_{0}}=\sqrt{\frac{\mu}{\lambda}}, (90)

ignoring at first the polaron potential UU. Unlike the approach discussed in the previous section, this method is an uncontrolled approximation. It turns out that it produces correct answer only if the scattering length aa of the potential UU describing impurity-boson interactions is sufficiently small. However, in principle this method produces an answer (given below in Eq. (102)) which one could attempt to use for arbitrary values of aa. In fact, this expression for the polaron energy already appeared in the literature before, obtained using a variety of different techniques. Here we argue that this answer breaks down as aa becomes larger, and is entirely incorrect as the potential is tuned to unitarity where aa is infinity, despite some claims in the literature to the contrary.

To apply this method to our problem, it is convenient to begin by introducing a Hubbard-Statonovich field. To do that consistently, we will focus only on the case when the attractive potential UU is negative everywhere, U(r)<0U(r)<0. We can then write

e𝑑τd3xUψ¯ψ=𝒟𝑑e𝑑τd3x(d¯ψ+ψ¯d+U1d¯d).e^{\int d\tau d^{3}x\,U\bar{\psi}\psi}=\int{\cal D}d\,e^{\int d\tau d^{3}x\,\left(\bar{d}\psi+\bar{\psi}d+U^{-1}\bar{d}d\right)}. (91)

With this done, we apply the expansion about the unperturbed condensate into the functional integral defined in Eq. (13). We write

ψ=n0+φ,\psi=\sqrt{n_{0}}+\varphi, (92)

Then we expand the action in powers of φ\varphi, keeping only quadratic terms, which corresponds to the Bogoliubov approximation to the weakly interacting Bose gas. We emphasize that it is this step which is approximate, and as we will discuss later, this step breaks down if the potential is strongly attractive.

This produces the following functional integral

𝒟φ𝒟dexp(d3x𝑑τ[φ¯(τμ2m)φ+μ2(φ2+φ¯2)+μφ¯φn0(d+d¯)d¯φφ¯dU1d¯d]).\int{\cal D}\varphi\,{\cal D}d\,\exp\left(-\int d^{3}xd\tau\left[\bar{\varphi}\left(\frac{\partial}{\partial\tau}-\mu-\frac{\nabla}{2m}\right)\varphi+\frac{\mu}{2}\left(\varphi^{2}+\bar{\varphi}^{2}\right)+\mu\bar{\varphi}\varphi-\sqrt{n_{0}}(d+\bar{d})-\bar{d}\varphi-\bar{\varphi}d-U^{-1}\bar{d}d\right]\right). (93)

Crucially, this integral is Gaussian, so can be calculated exactly. This is what we are going to do now. We first integrate out bosonic fluctuations φ\varphi. With the standard definition of the Fourier transform

d(τ,𝐫)=T𝐩,ωd(ω,𝐩)eiωτ+i𝐩𝐫,d(\tau,{\bf r})=T\sum_{{\bf p},\omega}d(\omega,{\bf p})\,e^{-i\omega\tau+i{\bf p}\cdot{\bf r}}, (94)

we work in frequency-momentum domain and find the effective action

SV=ρ(d(0)+d¯(0))+Tω,𝐩Gnd¯(ω,𝐩)d(ω,𝐩)+T2ω,𝐩Ga(d(ω,𝐩)d(ω,𝐩)+d¯(ω,𝐩)d¯(ω,𝐩))+\frac{S}{V}=-\sqrt{\rho}\left(d(0)+\bar{d}(0)\right)+T\sum_{\omega,\bf p}G_{\rm n}\bar{d}(\omega,{\bf p})d(\omega,{\bf p})+\frac{T}{2}\sum_{\omega,\bf p}G_{\rm a}\left(d(\omega,{\bf p})d(-\omega,-{\bf p})+\bar{d}(\omega,{\bf p})\bar{d}(-\omega,-{\bf p})\right)+ (95)
T𝐩𝐪U1(𝐩𝐪)d¯(ω,𝐩)d(ω,𝐪).T\sum_{{\bf p}{\bf q}}U^{-1}({\bf p}-{\bf q})\bar{d}(\omega,{\bf p})d(\omega,{\bf q}).

Here ω=2πnT\omega=2\pi nT are the usual bosonic Matsubara frequencies, d(0)d(0) above implies dd calculated at both zero frequency and momentum, and GnG_{\rm n} and GaG_{a} are normal and anomalous Green’s functions of the Bose gas in the Bogoliubov approximation,

Gn=iω+p22m+μω2+(p22m+μ)2μ2,G_{\rm n}=-\frac{i\omega+\frac{p^{2}}{2m}+\mu}{\omega^{2}+\left(\frac{p^{2}}{2m}+\mu\right)^{2}-\mu^{2}}, (96)
Ga=μω2+(p22m+μ)2μ2.G_{a}=\frac{\mu}{\omega^{2}+\left(\frac{p^{2}}{2m}+\mu\right)^{2}-\mu^{2}}. (97)

We note that at nonzero frequencies SS is quadratic in fields, while at zero frequency it includes a linear term. Therefore, the most important contribution will come from the zero frequency terms. To integrate over zero frequency terms, we minimize the action, solve the resulting equation and substitute back into the action. Minimizing gives the following equation

ρTU(𝐩)+d(𝐩)+-\frac{\sqrt{\rho}}{T}\,U({\bf p})+d({\bf p})+ (98)
𝐪U(𝐩𝐪)[Gn(𝐪)d(𝐪)+Ga(𝐪)d¯(𝐪)]=0,\sum_{\bf q}U({\bf p}-{\bf q})\left[G_{\rm n}({\bf q})d({\bf q})+G_{\rm a}({\bf q})\bar{d}(-{\bf q})\right]=0,

where everything is now at zero frequency. Look for a solution in terms of a real function d(𝐫)d({\bf r}), or in other words d(𝐩)=d¯(𝐩)d({\bf p})=\bar{d}(-{\bf p}) and denote

f(𝐩)=Td(𝐩)2μ+p22m.f({\bf p})=T\frac{d({\bf p})}{2\mu+\frac{p^{2}}{2m}}. (99)

Then the equation (98) can be rewritten in the position space as

n0U+(Δ2m+2μ+U)f=0.{\sqrt{n_{0}}}\,U+\left(-\frac{\Delta}{2m}+2\mu+U\right)f=0. (100)

We now note that this is nothing but the expansion of the Gross-Pitaevskii equation (17) about the flat solution. In other words, Eq. (100) can be obtained from Eq. (17) by substituting ψn0+f\psi\approx\sqrt{n_{0}}+f and expanding in powers of ff. This should already tell us that the applicability of the method we are using is limited, since ff is not always small.

Ignoring this issue for now, we note that once Eq. (100) is solved, the solution needs to be substituted back into Eq, (95) to find the action

S=Vn0d(0),S=-V\sqrt{n_{0}}\,d(0), (101)

which constitutes the answer obtained in this calculation.

We now know enough about the solution to the full Gross-Pitaevskii equation to easily solve Eq. (100). For 0<r<rc0<r<r_{c} we can neglect μ\mu. The solution is then simply

fn0=1+Bvr,\frac{f}{\sqrt{n_{0}}}=-1+B\frac{v}{r},

where vv, as defined earlier, is the solution of the zero energy Schrödinger equation (67), normalized as explained after Eq. (67), and BB is yet some unknown constant.

At r>rcr>r_{c} the potential vanishes and the solution to Eq. (100) reads

fn0=Are2r/ξ.\frac{f}{\sqrt{n_{0}}}=\frac{A}{r}e^{-\sqrt{2}r/\xi}.

We now match these by taking advantage of the Bethe-Peierls boundary conditions satisfied by vv

rc+B=A,A2/ξ=1+B/(rca).-r_{c}+B=A,\ -A\sqrt{2}/\xi=-1+B/(r_{c}-a).

Solving these in the limit rcξr_{c}\ll\xi, we find

A=ξ2ξ/a,B=ξ2ξ/a.A=\frac{\xi}{\sqrt{2}-\xi/a},\ B=\frac{\xi}{\sqrt{2}-\xi/a}.

We now calculate the action according to Eq. (101),

S=2μn0Td3xf(x).S=-\frac{2\mu\sqrt{n_{0}}}{T}\int d^{3}x\,f(x).

The leading contribution to the integral produces

S=2πan0VTm(1a2/ξ).S=\frac{2\pi an_{0}V}{Tm\left(1-a\sqrt{2}/\xi\right)}.

From here we finally deduce that, since S=EV/TS=EV/T,

E=2πan0m(12a/ξ).E=\frac{2\pi an_{0}}{m\left(1-\sqrt{2}\,a/\xi\right)}. (102)

This is a very appealing expression, and not surprisingly it appeared previously in the literature (see Ref. [24], in particular their Eq. (4) as well as their Supp. Mat.). The first two terms of its expansion in powers of a/ξa/\xi are given by

E2πan0m(1+2aξ)+.E\approx\frac{2\pi an_{0}}{m}\left(1+\frac{\sqrt{2}\,a}{\xi}\right)+\dots. (103)

The first of these is the standard well-known weak potential answer which we obtained before in Eq. (32). The second term is the correction to that in the expansion in powers of a/ξa/\xi which we already obtained earlier in Eq. (65) and which goes back to the work in Ref. [28]. Both of these are definitely correct.

It is very tempting to use the expression for the energy (102) at larger |a||a| as well, all the way to aa going to infinity where it produces E=2πn0ξ/mE=-\sqrt{2}\pi n_{0}\xi/m. However, there is no reason to expect that this would be correct. See Appendix below for a toy problem which illustrates why only the first two terms of Eq. (102) as given in Eq. (103) can be trusted (see also Ref. [23] for further discussions of Eq. (102)).

VII Impurity-boson interactions supporting a bound state

Let us now briefly explore the regime where the potential UU is so strongly attractive that it now supports a bound state. To do this, we mostly follow the results reported in our earlier publication [1].

As the potential UU increases in strengths beyond unitary limit, the scattering length aa in such a potential is now positive. This implies that it now has a bound state with binding energy

Ebinding=ν=12ma2,E_{\rm binding}=-\nu=-\frac{1}{2ma^{2}},

aa becomes positive. If aa becomes sufficiently small so that the relationship (31) holds again, simple arguments give the energy and the number of trapped particles of the polaron as

EmR3ν2aB,NmR3νaB.E\sim-\frac{mR^{3}\nu^{2}}{a_{B}},\ N\sim\frac{mR^{3}\nu}{a_{B}}. (104)

where the precise coefficients now depend on the details of the potential UU. (A subtlety in trying to use Eq. (3) for Eq. (104) is that an additional term in EE suppressed by a power of a factor of δ\delta compared to what is presented in Eq. (104) is needed to recover the expression for NN.)

Indeed, suppose NN bosons get trapped in this bound state, then its energy is

E=Nν+gN22,E=-N\nu+g\frac{N^{2}}{2},

where the self-repulsion constant gg can be estimated as

gλR3.g\sim\frac{\lambda}{R^{3}}. (105)

Minimizing EE with respect to NN we find Eqs. (104). This solution can also be obtained from the Gross-Pitaevskii equation if one notes that it corresponds to the density of bosons being nN/R3ν/λn\sim N/R^{3}\sim\nu/\lambda, and that results in the nonlinear term in the Gross-Pitaevskii equation λ|ψ|2ψνψ\lambda\left|\psi\right|^{2}\psi\sim\nu\psi, thus turning Gross-Pitaevskii equation approximately into the Schrödinger equation at energy ν-\nu, whose solution will roughly follow the bound state solution of the Schrödinger equation. Such solution of the Gross-Pitaevskii equation, which would fix the coefficients in Eq. (104), can only be found numerically and the answer, which will fix the numerical coefficients in Eq. (104), will be highly dependent on the details of the potential UU.

It is straightforward to estimate

naB3(aB/a)21,na_{B}^{3}\sim(a_{B}/a)^{2}\ll 1,

justifying the use of the Gross-Pitaevskii equation as long as aaBa\gg a_{B}.

VIII Conclusions

We presented here a theory of impurities in weakly interacting Bose condensates, attractively interacting with bosons which formed the condensate. Our theory is based on Gross-Pitaevskii equation in external potential. We demonstrate that the approximation of Gross-Pitaevskii equation is valid as long as the range of the potential is not too small and not too large, as described by the criteria (4). The theory remains valid for arbitrary impurity-boson scattering length, including in the unitary limit where the scattering length goes to infinity.

We demonstrate that for weakly interacting Bose gases it is possible to solve the corresponding Gross-Pitaevskii equation (17) analytically. Therefore, the weakness of intra-boson interactions play dual role in our theory: they allow for the analytic solution of Gross-Pitaevskii equation, and they suppress quantum fluctuations about the Gross-Pitaevskii solution, if the properly defined range of the potential is finite and lies within the interval (4). Within this theory we found the binding energy of the polaron and the number of bosons that become trapped in the vicinity of the impurity. In the regime of impurity-boson interactions at unitarity, they are given by Eqs. (5) and (6). Perturbing away from unitarity slightly we find Eq. (58). For generic attractive potential with negative scattering length which is neither small nor large the answer can be found analytically via the formalism developed here, but we found its analytic expression too cumbersome to present here.

We work with intra-bosons interactions of zero range. We explore the effects of finite range of intra-boson interactions and demonstrate that taking it into account does not appreciably change our results.

The questions which we have not yet addressed include the behavior of the polaron at finite momentum, including the determination of its effective mass. We leave these questions for future work.

Acknowledgements.
We acknowledge inspiring and insightful discussion with G. E. Astrakharchik, J. Levinsen, and M. Parish. PM was supported by grant PID2020-113565GB-C21 funded by MCIN/AEI/10.13039/501100011033, and EU FEDER Quantumcat. This work was also supported by the Simons Collaboration on Ultra-Quantum Matter, which is a grant from the Simons Foundation (651440, VG, NY), and by the National Science Foundation under Grant No. NSF PHY-1748958.

*

Appendix A Failure of the expansion about the unperturbed condensate: a toy problem

To illustrate the method used in this paper, we study the following toy problem. First we would like to evaluate the integral

I=0𝑑xeax2bx4,I=\int_{0}^{\infty}dx\,e^{ax^{2}-bx^{4}}, (106)

in case where bb is small and aa is positive. We will evaluate it by the saddle point method. The saddle point is

x0=a2b.x_{0}=\sqrt{\frac{a}{2b}}. (107)

Writing x=x0+yx=x_{0}+y, and ax2bx4=a2/(4b)2a(xx0)ax^{2}-bx^{4}=a^{2}/(4b)-2a(x-x_{0}), we find

Iπ2aexp(a24b).I\approx\sqrt{\frac{\pi}{2a}}\,{\exp\left({{\frac{a^{2}}{4b}}}\right)}. (108)

This is the standard answer to II, produced as an exponential of the power series in bb.

Now suppose we would like to evaluate the following integral (a>0a>0, c>0c>0, bb is small).

f=0𝑑xeax2bx4ecx20𝑑xeax2bx4.f=\frac{\int_{0}^{\infty}dx\,e^{ax^{2}-bx^{4}}e^{cx^{2}}}{\int_{0}^{\infty}dx\,e^{ax^{2}-bx^{4}}}. (109)

On the one hand, from Eqs (106) and (108), the answer is

fe2ac+c24baa+c.f\approx e^{\frac{2ac+c^{2}}{4b}}\sqrt{\frac{a}{a+c}}. (110)

On the other hand, we attempt to evaluate ff by taking the following steps, mimicking the approach employed in Section VI. We introduce a Hubbard-Stratonovich variable yy

f=10𝑑xeax2bx40𝑑xdy4πceax2bx4+xyy24c.f=\frac{1}{\int_{0}^{\infty}dx\,e^{ax^{2}-bx^{4}}}{\int_{0}^{\infty}dx\,\int_{-\infty}^{\infty}\frac{dy}{\sqrt{4\pi c}}\,e^{ax^{2}-bx^{4}+xy-\frac{y^{2}}{4c}}}. (111)

To evaluate the integral over xx in the numerator of the expression above, we use

x=a2b+z,x=\sqrt{\frac{a}{2b}}+z, (112)

and expand in powers of zz. Note that this is not a legitimate way to approach this problem, however, this is what was done in Section (VI) when the functional integral was expanded about n unperturbed condensate. We find

f10𝑑xeax2bx4dzdy4πcea24b2az2+(a2b+z)yy24c=f\approx\frac{1}{\int_{0}^{\infty}dx\,e^{ax^{2}-bx^{4}}}{\int_{-\infty}^{\infty}\frac{dzdy}{\sqrt{4\pi c}}\,e^{\frac{a^{2}}{4b}-2az^{2}+\left(\sqrt{\frac{a}{2b}}+z\right)y-\frac{y^{2}}{4c}}}= (113)
a2π2c𝑑z𝑑ye2az2+(a2b+z)yy24c.\sqrt{\frac{a}{2\pi^{2}c}}{\int_{-\infty}^{\infty}dzdy\,e^{-2az^{2}+\left(\sqrt{\frac{a}{2b}}+z\right)y-\frac{y^{2}}{4c}}}.

Evaluating the integral over zz gives

f14πc𝑑yea2by+y28ay24c=2a2acea2cb(2ac).f\approx\frac{1}{\sqrt{4\pi c}}\int_{-\infty}^{\infty}dy\,e^{\sqrt{\frac{a}{2b}}y+\frac{y^{2}}{8a}-\frac{y^{2}}{4c}}=\sqrt{\frac{2a}{2a-c}}e^{\frac{a^{2}c}{b(2a-c)}}. (114)

Compare this with the correct answer (110). Expanding the leading asymptotic of the answer in the exponential in powers of cc if cc is small,

a2cb(2ac)ac2b+c24b+c38ab+,\frac{a^{2}c}{b(2a-c)}\approx\frac{ac}{2b}+\frac{c^{2}}{4b}+\frac{c^{3}}{8ab}+\dots, (115)

so the first two terms do indeed coincide with the correct expression in the exponential

2ac+c24b.\frac{2ac+c^{2}}{4b}. (116)

However, the rest of the terms have nothing to do with the correct answer.

This is an indication that in Eq. (102) only the first two terms in the expansion in powers of aa, as given in Eq. (103), could be trusted.

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