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Physical Review

Statistical Mechanics of a Nonideal Boson Gas: Pair Hamiltonian Model

Marshall Luban

Published Oct 15, 1962• 93 citations
Publisher

Abstract

This work is concerned with a microscopic model of a nonideal boson gas. The Hamiltonian is treated in a rigorous manner free of all approximations and, in particular, the Bogoliubov approximation of replacing the zero-momentum single-particle creation and destruction operators by a $c$ number is entirely avoided. Utilizing a method due to Wentzel, the Hamiltonian is replaced by one involving products of two second quantized operators which, in general, can be diagonalized. This replacement is shown to be rigorously valid in the infinite volume limit for all temperatures despite the avoidance of the Bogoliubov approximation. It is found that the assumption of a positive-definite quasiparticle excitation spectrum $\ensuremath{\epsilon}(\mathrm{k})$ becomes untenable for temperatures $T$ less than a critical value ${T}_{c}$, if the interparticle potential is described by a certain kernel which possesses positive eigenvalues only, corresponding to a sufficiently repulsive interparticle force. Assuming that $\ensuremath{\epsilon}(\mathrm{k})=0$ only for k=0, it is found that for $T<{T}_{c}$ the system undergoes an Einstein condensation into the k=0 single-particle state, and the integral equations characterizing the system are precisely the same as would be obtained if the Bogoliubov approximation were made, proving within the framework of this model the strict validity of this approximation procedure. The well-known criterion for an Einstein condensation $v(0)>0$, where $v(\mathrm{k})$ is the Fourier transform of the interparticle potential, is shown to be a weaker statement of our eigenvalue criterion. Further, in agreement with Girardeau and Arnowitt, it is found that an energy gap separates $\ensuremath{\epsilon}(0)$ and $\ensuremath{\epsilon}(\mathrm{k})$ for $k>0$. An approximation method is developed for solving the integral equations which describe those systems which undergo an Einstein condensation, and it is shown that this method can be justified if $|T\ensuremath{-}{T}_{c}|\ensuremath{\lesssim}\frac{{T}_{c}}{10}$, and in cases of short-range repulsive interparticle forces and systems for which $\ensuremath{\rho}v(0)$ possesses a certain prescribed upper bound, $\ensuremath{\rho}$ being the number of particles per unit volume. The transition temperature is found to be lower than the corresponding quantity for the ideal boson gas of the same density. A detailed discussion of the thermal properties of the system in the vicinity of ${T}_{c}$ is also given. In an Appendix a general type of smeared Einstein condensation is assumed, and it is found that for systems in which this property occurs $\ensuremath{\epsilon}(\mathrm{k})$ is linear for small $k$. This ansatz is shown to be tenable only if $v(0)<0$. Finally, by assuming an appropriate pseudopotential representation of a hard repulsive core and by including a weak, longranged attractive force between particles, $\ensuremath{\epsilon}(\mathrm{k})$ shows a nonmonotonic behavior of the same qualitative type as observed in liquid ${\mathrm{He}}^{4}$.

DOI
10.1103/physrev.128.965

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Cambridge University Press eBooks•Feb 19, 2009•0 citations
This work is concerned with a microscopic model of a nonideal boson gas. The Hamiltonian is treated in a rigorous manner free of all approximations and, in particular, the Bogoliubov approximation of replacing the zero-momentum single-particle creation and destruction operators by a ccc number is entirely avoided. Utilizing a method due to Wentzel, the Hamiltonian is replaced by one involving products of two second quantized operators which, in general, can be diagonalized. This replacement is shown to be rigorously valid in the infinite volume limit for all temperatures despite the avoidance of the Bogoliubov approximation. It is found that the assumption of a positive-definite quasiparticle excitation spectrum \ensuremathϵ(k)\ensuremath{\epsilon}(\mathrm{k})\ensuremathϵ(k) becomes untenable for temperatures TTT less than a critical value Tc{T}_{c}Tc​, if the interparticle potential is described by a certain kernel which possesses positive eigenvalues only, corresponding to a sufficiently repulsive interparticle force. Assuming that \ensuremathϵ(k)=0\ensuremath{\epsilon}(\mathrm{k})=0\ensuremathϵ(k)=0 only for k=0, it is found that for T<TcT<{T}_{c}T<Tc​ the system undergoes an Einstein condensation into the k=0 single-particle state, and the integral equations characterizing the system are precisely the same as would be obtained if the Bogoliubov approximation were made, proving within the framework of this model the strict validity of this approximation procedure. The well-known criterion for an Einstein condensation v(0)>0v(0)>0v(0)>0, where v(k)v(\mathrm{k})v(k) is the Fourier transform of the interparticle potential, is shown to be a weaker statement of our eigenvalue criterion. Further, in agreement with Girardeau and Arnowitt, it is found that an energy gap separates \ensuremathϵ(0)\ensuremath{\epsilon}(0)\ensuremathϵ(0) and \ensuremathϵ(k)\ensuremath{\epsilon}(\mathrm{k})\ensuremathϵ(k) for k>0k>0k>0. An approximation method is developed for solving the integral equations which describe those systems which undergo an Einstein condensation, and it is shown that this method can be justified if ∣T\ensuremath−Tc∣\ensuremath≲Tc10|T\ensuremath{-}{T}_{c}|\ensuremath{\lesssim}\frac{{T}_{c}}{10}∣T\ensuremath−Tc​∣\ensuremath≲10Tc​​, and in cases of short-range repulsive interparticle forces and systems for which \ensuremathρv(0)\ensuremath{\rho}v(0)\ensuremathρv(0) possesses a certain prescribed upper bound, \ensuremathρ\ensuremath{\rho}\ensuremathρ being the number of particles per unit volume. The transition temperature is found to be lower than the corresponding quantity for the ideal boson gas of the same density. A detailed discussion of the thermal properties of the system in the vicinity of Tc{T}_{c}Tc​ is also given. In an Appendix a general type of smeared Einstein condensation is assumed, and it is found that for systems in which this property occurs \ensuremathϵ(k)\ensuremath{\epsilon}(\mathrm{k})\ensuremathϵ(k) is linear for small kkk. This ansatz is shown to be tenable only if v(0)<0v(0)<0v(0)<0. Finally, by assuming an appropriate pseudopotential representation of a hard repulsive core and by including a weak, longranged attractive force between particles, \ensuremathϵ(k)\ensuremath{\epsilon}(\mathrm{k})\ensuremathϵ(k) shows a nonmonotonic behavior of the same qualitative type as observed in liquid He4{\mathrm{He}}^{4}He4.
A many-boson model is formulated and expressions for its exact eigenstates and energies are obtained for both an arbitrary finite and an infinite number of bosons. The Hamiltonian of the model contains interactions between bosons whose momenta have equal magnitudes but opposite directions. The matrix elements of this interaction are taken to be a constant over a range of momenta surrounding k = 0. The ground state of the 2N-particle system is shown to be a product of N pair-creation operators acting on the vacuum state. Each of these pair-creation operators depends upon one of N parameters which are called pair energies. The N pair energies are shown to satisfy a coupled system of nonlinear algebraic equations. The energy of the state is the sum of the pair energies and the occupation probabilities of the single-particle levels are given as simple functions of the pair energies. Similar results are derived for the excited states of the system and for the states of an odd number of particles. These results are valid for both a repulsive and an attractive interaction, since they only depend upon the form of the interaction. The equations are solved algebraically for two model systems. The first of these is one whose single-particle kinetic energy takes on only one value. The equations for this system are solved for an arbitrary interaction strength and it is shown that the pair energies are proportional to the zeros of certain Laguerre polynomials. The second system is one in which the single-particle kinetic energy can take on two values. The equations for this system are solved in the strong repulsive-interaction limit and it is shown that the pair energies are proportional to the zeros of certain Jacobi polynomials. The excitation energies of this second system are shown to be proportional to 1/n and the occupations of the two single-particle levels in the ground state are shown to be proportional to n, where n is the total number of particles. For a repulsive interaction and an arbitrary single-particle spectrum, the algebraic equations for the pair energies are converted into an approximate integral equation for the density of roots which is accurate to order 1/n. This integral equation is solved for a strong interaction which, in the context of this model, means an interaction whose strength is greater than a constant times 1/V⅔ in the limit of a large volume. From this solution, the following results are obtained: (1) the lowest two single-particle levels have occupations of order n; (2) the excitation spectrum is that of a set of noninteracting quasiparticles; and (3) the quasiparticle spectrum has two zeros corresponding to the lowest two single-particle levels. Apart from the presence of two zeros, the quasiparticle spectrum does not differ significantly from that of the noninteracting particles.
The existence of a Bose-Einstein condensation in an interacting many-boson system at T = 0°K is proved under certain conditions on the particle density and the interparticle potential. Starting with the tentative assumption that the condensation exists, we study the fluctuation in the occupation number of the condensate with due regard to its interactions (1) with particles outside the condensate as well as (2) with the fluctuation itself. If the condensate fluctuation has a normalizable ground state, then the assumed existence of the condensation is tenable. For the case of the pair-Hamiltonian model satisfying the conditions for condensation, the interactions of the second category are of no importance. In the limit of infinite volume, this Hamiltonian can be diagonalized in an irreducible representation of a Bose-field operatorφ(x), whereφ(x) has nonvanishing ground state expectation value, in accordance with the usual c-number replacement of creation and destruction operators for the condensate particles. The full Hamiltonian for a system of pairwise interacting bosons is studied only in a low-density limit. Bose-Einstein condensation exists when the over-all space integral of the interparticle potential is positive. In this case the interactions of the second category play an important role in ensuring a normalizable ground state for the condensate fluctuation. There is an indication that in the limit of infinite volume the Hamiltonian cannot be diagonalized in any irreducible representation of the field operatorφ. Yet the c-number replacement of the condensate operators is legitimate as far as states of particles outside the condensate are concerned. Some speculations are made as to what may happen for systems of moderate density.
A simple model of a boson system is considered for which the exact Schr\"odinger equation reduces to a difference equation which can be solved numerically. Application of the Bogoliubov method and comparison of its results with the numerical results then yield some insight into the validity of the Bogoliubov approximations. The simple model considered has, in the absence of interactions, only a zero energy state and two states of unit energy available to each boson. Initially there is assumed to be no interaction between bosons in the degenerate excited states and all existing interactions are assumed to be repulsive. The ground-state energy is calculated in the Bogoliubov approximation, with and without the depletion effect considered, and in another numerical approximation. These results and the results of the numerical solution of the exact Schr\"odinger equation converge to the Bogoliubov result with depletion ignored when the number of particles in the system approaches infinity. It is surprising to note that, for the interaction strengths considered, the Bogoliubov result is within 3% of the numerical result for as few as 32 particles in the system, and within 10% for only 4 particles. A modification of the above system is considered in which there exists an additional two-body interaction between particles in the degenerate excited states which may be attractive or repulsive. It is shown that the ground-state energy, with this additional interaction present, deviates from the Bogoliubov value linearly with the strength of the added interaction, i.e., $W={W}_{\mathrm{Bog}}+\ensuremath{\alpha}F$ (with FFF the strength parameter of the interaction). The factor $\ensuremath{\alpha}$ is found to be small and constant over a wide range of FFF and in this range the deviation of WWW from the Bogoliubov value is small. There is, however, a transition point FT{F}_{T}FT​, beyond which $\ensuremath{\alpha}$ is constant and large and the usual Bogoliubov approximation is invalid for interactions more attractive than that characterized by FT{F}_{T}FT​. A Bogoliubov-like approximation is shown to be quite accurate in this region. It is then shown that $F_{T}^{\ensuremath{-}1}$ is a linear function of the number of particles in the system.
The thermodynamics of a free Bose gas with effective temperature scale T~\tilde{T}T~ and hard-sphere Bose gas with the T~\tilde{T}T~ scale are studied. T~\tilde{T}T~ arises as the temperature experienced by a single particle in a quantum gas with 2-body harmonic oscillator interaction VoscV_\textrm{osc}Vosc​, which at low temperatures is expected to simulate, almost correctly, the attractive part of the interatomic potential VHeV_\textrm{He}VHe​ between 4He^{4}\textrm{He}4He atoms. The repulsive part of VHeV_\textrm{He}VHe​ is simulated by a hard-sphere (HS) potential. The thermodynamics of this system of HS bosons, with the T~\tilde{T}T~ temperature scale (HSET), is investigated, first, by the Bogoliubov-Huang method and next by a modified version of this method, which takes approximate account of those terms of the 2-body repulsion which are linear in the zero-momentum Bose operators a0,  a0∗a_0,\,\,a^*_0a0​,a0∗​ (originally rejected by Bogoliubov). Theoretical heat capacity CV(T)C_V(T)CV​(T) exhibits good agreement, below 2.1 K, with the experimental heat capacity graph observed in 4He^{4}\textrm{He}4He at saturated vapour pressure. The phase transition to the low-temperature phase, with a Bose-Einstein condensate, occurs in the HSET at $T_λ=$2.17 K, and is accompanied, in the modified HSET version, by a singularity of CV(T)C_V(T)CV​(T). Other thermal properties of HSET, such as the momentum distribution function, the fraction of atoms in the momentum condensate and normal fluid density, agree qualitatively with those of 4He^{4}\textrm{He}4He, but improve those of the free Bose gas.
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In Chapter 6, we derived a generalized Gross–Pitaevskii condensate equation which is coupled to a kinetic equation for the distribution function for the thermal atoms. However, the kinetic equation in Chapter 6 is only valid in the semiclassical limit. It involves the assumption that the thermal energy k B T is much greater than the spacing between the harmonic trap energy levels ( k B T ≫ω 0 where ω 0 is the trap frequency) and also much greater than the average interaction energy ( k B T ≫ gn ). The ZNG model, based on HF excitations, is still expected to be adequate down to quite low temperatures in trapped Bose gases, as will be shown by the results in Chapter 12. However, the ZNG model will break down at very low temperatures, where the Hartree–Fock excitations must be replaced by the Bogoliubov spectrum. To deal with this, one has to derive a kinetic equation for the Bogoliubov quasiparticle excitations. This is the goal of the present chapter. In this chapter, we use the second-order Beliaev approximation to discuss the nonequilibrium dynamics of a trapped Bose-condensed gas at finite temperatures. In doing to, we combine the second-order Beliaev self-energies with the lower-order Bogoliubov excitation spectrum, including off-diagonal single-particle propagators but still omitting the anomalous correlation functions. This last condition defines the Bogoliubov–Popov approximation. In this chapter, we consider only the damping which arises from collisions. We will not explicitly calculate corrections that are second-order in g to the quasiparticle energy spectrum or to the condensate chemical potential, both of which are associated with the real parts of the second-order Beliaev self-energies. The present chapter is a natural generalization of work presented in Chapter 6 for the simpler HF excitation spectrum assumed in the ZNG analysis.