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Proceedings of the Physical Society

The Collective Treatment of a Fermi Gas: II

T. F. GASKELL

Published Jun 1, 1961• 99 citations
Publisher

Abstract

The ground state energy of the free electron gas is calculated using the Rayleigh-Schrödinger variational method with the wave function ψ= D Π i<j f ( x ij ) where D is a determinant of plane waves and f ( x ij ) a correlation function. Consideration of the wave function in terms of the collective coordinates p k' the Fourier components of the density, suggests an accurate approximation for the energy integral which is then evaluated over the coordinates of the particles so that the use of subsidiary conditions is avoided. Effects omitted in the random phase approximation are included and the final results extend continuously over plasma and particle modes and should be valid in the range of densities encountered in real metals. The results agree closely with those of Nozières and Pines, and of Hubbard obtained by more elaborate methods.

DOI
10.1088/0370-1328/77/6/312

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The ground state energy of the free electron gas is calculated using the Rayleigh-Schrödinger variational method with the wave function ψ= D Π i<j f ( x ij ) where D is a determinant of plane waves and f ( x ij ) a correlation function. Consideration of the wave function in terms of the collective coordinates p k' the Fourier components of the density, suggests an accurate approximation for the energy integral which is then evaluated over the coordinates of the particles so that the use of subsidiary conditions is avoided. Effects omitted in the random phase approximation are included and the final results extend continuously over plasma and particle modes and should be valid in the range of densities encountered in real metals. The results agree closely with those of Nozières and Pines, and of Hubbard obtained by more elaborate methods.
In a previous paper a trial wave function of the form ψ = D II i<i f ( x ij ) was used variationally to calculate the ground-state energy of an interacting electron gas, D being a determinant of plane waves and f ( x ij ) a correlation function. In this work attention is focused on the nature of the wave function; in particular, the correlation function f ( x ij ) and the pair distribution function are calculated and numerical results are presented for two widely different densities. In the course of this work, further light is thrown on the approximations made in the earlier energy calculations. Finally, the use of a wave function of the type ψ = II i<j f ( x ij ) in the calculation of the ground-state energy of a system of charged bosons is discussed and the exact high-density result of Foldy obtained.
The general form of the energy of the ground state of a many-fermion system is shown to be exactly of the form proposed by Brueckner and Bethe, without approximation. In a variational treatment, if the trial wave function is picked containing only pair correlations, together with all possible unlinked pairs, it is described by a two-body excitation matrix 〈m1m2∣A∣p1p2〉〈{m}_{1}{m}_{2}|A|{p}_{1}{p}_{2}〉〈m1​m2​∣A∣p1​p2​〉. Variation of this matrix in the Ritz-Rayleigh principle yields a set of integral equations of the scattering type for the matrix AAA. Hole-state energies are given self-consistently in terms of the matrix AAA, but particle-state energies are Hartree-Fock energies. This may be corrected for by widely enlarging the class of terms admitted into the wave function. If the approximation is then made of omitting a class of terms, defined as cross-linked clusters in $〈\ensuremath{\psi}|H|\ensuremath{\psi}〉$, the particle-state energies are easily renormalized. Variation then leads to an infinite hierarchy of integral equations.
The behavior of the electrons in a dense electron gas is analyzed quantum-mechanically by a series of canonical transformations. The usual Hamiltonian corresponding to a system of individual electrons with Coulomb interactions is first re-expressed in such a way that the long-range part of the Coulomb interactions between the electrons is described in terms of collective fields, representing organized "plasma" oscillation of the system as a whole. The Hamiltonian then describes these collective fields plus a set of individual electrons which interact with the collective fields and with one another via short-range screened Coulomb interactions. There is, in addition, a set of subsidiary conditions on the system wave function which relate the field and particle variables. The field-particle interaction is eliminated to a high degree of approximation by a further canonical transformation to a new representation in which the Hamiltonian describes independent collective fields, with ${n}^{\ensuremath{'}}$ degrees of freedom, plus the system of electrons interacting via screened Coulomb forces with a range of the order of the inter electronic distance. The new subsidiary conditions act only on the electronic wave functions; they strongly inhibit long wavelength electronic density fluctuations and act to reduce the number of individual electronic degrees of freedom by ${n}^{\ensuremath{'}}$. The general properties of this system are discussed, and the methods and results obtained are related to the classical density fluctuation approach and Tomonaga's one-dimensional treatment of the degenerate Fermi gas.
In this second work in a series of papers the coupled-cluster or exp(S)\mathrm{exp}(S)exp(S) formalism is applied to the problem of ground-state correlations in the one-component Fermi plasma. The main approximation employed is the so-called SUB2 approximation for the two-body subsystem correlation operator S2{S}_{2}S2​ which provides a measure of the two-particle---two-hole component in the true ground-state wave function, and in which the coupling to larger subsystems is neglected. The SUB2 equations for Fermi systems are brought into tractable form by a "state-averaging" procedure which we develop by analogy with the comparable Bose equations, and which is shown by comparison with earlier exact results to be accurate in the metallic density regime at about the 1% level. Our final results for metallic densities include the completely integrated and self-consistent effects of the terms which by themselves generate (i) the random-phase approximation (RPA) and its associated exact long-range screening effects, (ii) the extra random-phase approximation exchange terms necessary to keep the RPA explicitly antisymmetric, (iii) the self-consistent particle-particle ladders (LAD) that describe two-particle scattering within the many-body medium and which describe the exact short-range behavior, (iv) a class of particle-hole ladder terms, and (v) the self-consistent hole-potential terms. Particular attention is paid to the important effects caused by the interference at intermediate separations of the long-range RPA and the short-range LAD effects. By comparison with recent and essentially exact stochastic simulations of the many-body Schr\"odinger equation, our results are seen to be accurate to about 1% for metallic densities, and hence to provide what is probably the currently best microscopic description available for this system. We show also that even in the low-density limit the SUB2 approximation provides a good "translationally-invariant-solid" description of both charged Fermi and Bose systems in this exact Wigner crystal regime.
The ground-state energy of an interacting many-boson system obtained by Bogoliubov and Zubarev using the collective-coordinate method is shown to be equivalent through second order to the variation-perturbation energy evaluated in the uniform limit by means of the method of correlated basis functions. It is also shown that the wave function derived with a slight modification of the Bogoliubov-Zubarev approach is equivalent to that determined formally from the Rayleigh-Schr\"odinger perturbation theory in the uniform limit.
We propose an unconventional description for the ground state and collective oscillations of the two-component normal Fermi gas with two-body zero-range interactions. The many-body problem can be accurately reduced to a linear, one-dimensional Schroedinger equation in a single collective coordinate, the hyperradius R of the N-atom system which is the root mean square radius. The calculated properties of the Fermi gas ground state are shown to agree accurately with results from the Hartree-Fock (HF) approximation over a wide range of interspecies scattering lengths. The breathing mode excitation frequency deviates qualitatively from HF predictions, but we show that this reflects a failure of the HF approach for this observable.