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arXiv:cond-mat/0306320 · Physical Review A

Analytical expression for the first-order density matrix of ad-dimensional harmonically confined Fermi gas at finite temperature

Brandon P. van Zyl

Published Sep 5, 2003• 18 citations
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Abstract

We present a closed-form expression for the finite temperature first-order density matrix of an isotropic harmonically trapped ideal Fermi gas in any dimension. This constitutes a much sought after generalization of the recent results in the literature, where analytical expressions have been limited to quantities derived from the diagonal first-order density matrix. We compare our results with the Thomas-Fermi approximation (TFA) and demonstrate numerically that the TFA provides an excellent description of the first-order density matrix in the large-$N$ limit. As an interesting application, we derive a closed-form expression for the finite temperature Hartree-Fock exchange energy of a two-dimensional (2D) parabolically confined quantum dot. We numerically test this result against the 2D TF exchange functional, and comment on the applicability of the local-density approximation to the exchange energy of an inhomogeneous 2D Fermi gas.

DOI
10.1103/physreva.68.033601

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We present a closed-form expression for the finite temperature first-order density matrix of an isotropic harmonically trapped ideal Fermi gas in any dimension. This constitutes a much sought after generalization of the recent results in the literature, where analytical expressions have been limited to quantities derived from the diagonal first-order density matrix. We compare our results with the Thomas-Fermi approximation (TFA) and demonstrate numerically that the TFA provides an excellent description of the first-order density matrix in the large-NNN limit. As an interesting application, we derive a closed-form expression for the finite temperature Hartree-Fock exchange energy of a two-dimensional (2D) parabolically confined quantum dot. We numerically test this result against the 2D TF exchange functional, and comment on the applicability of the local-density approximation to the exchange energy of an inhomogeneous 2D Fermi gas.
We present a new, simple closed form expression for the exact Wigner function of an ideal gas of harmonically trapped fermions or bosons at arbitrary temperature and dimensionality. One of the primary advantages of our expression is that it provides a clean separation of the spatial and momentum variables, which can significantly simplify analytical calculations involving the Wigner function. Our analysis is based on the explicit Fourier transform of the exact first-order density matrix, which affords an exceedingly simple derivation of the Wigner function. We demonstrate the utility of our approach by presenting several analytical results which may be trivially derived from the Wigner function, but otherwise require more involved calculations. We also examine the temperature and dimensionality dependence of the Fermi Wigner function in detail, thereby pointing out some subtle issues regarding the applicability of the Thomas–Fermi approximation to the Wigner function in the limit of a 'macroscopic' number of particles, and finite-temperatures.
We present exact analytical results for the thermodyanmic properties of a two-dimensional (2D), harmonically trapped charged quantum gas in a magnetic field. While our results are applicable to both Fermi and Bose gases, we focus our attention on trapped fermions owing to their relevant application in the density-functional theory of inhomogeneous Fermi systems. In particular, we test the Thomas–Fermi (or continuum) approximation (TFA) for the functional relation τ[ρ] using the exact ρ( r ) and show that it reproduces the local and global properties of the exact kinetic energy density τ( r ) surprisingly well. However, when we compare our exact results for various thermodynamic quantities with the TFA, we find that it misses several important features. These deviations are shown to be entirely due to the quantum mechanical properties of the system, which are not accounted for in the continuum approximation.
We investigate the particle and kinetic energy densities of harmonically trapped fermion gases at zero temperature in arbitrary dimensions. We derive differential equations connecting these densities, which so far have been proved only in one or two dimensions, and give other interesting relations involving several densities or the particle density alone. We show that in the asymptotic limit of large particle numbers, the densities go over into the semi-classical Thomas–Fermi (TF) densities. Hereby the Fermi energy to be used in the TF densities is uniquely identified. We derive an analytical expansion for the remaining oscillating parts and obtain very simple closed forms for the leading-order oscillating densities. Finally, we show that the simple TF functional relation τ TF [ρ] between kinetic and particle densities is also fulfilled for the asymptotic quantum densities τ( r ) and ρ( r ) including their leading-order oscillating terms.
We investigate the particle and kinetic energy densities of harmonically trapped fermion gases at zero temperature in arbitrary dimensions. We derive differential equations connecting these densities, which so far have been proved only in one or two dimensions, and give other interesting relations involving several densities or the particle density alone. We show that in the asymptotic limit of large particle numbers, the densities go over into the semi-classical Thomas-Fermi (TF) densities. Hereby the Fermi energy to be used in the TF densities is uniquely identified. We derive an analytical expansion for the remaining oscillating parts and obtain very simple closed forms for the leading-order oscillating densities. Finally, we show that the simple TF functional relation tau(TF)[rho] between kinetic and particle densities is also fulfilled for the asymptotic quantum densities tau(r) and rho(r) including their leading-order oscillating terms.
We present closed analytical expressions for the particle and kinetic-energy spatial densities at finite temperatures for a system of noninteracting fermions (bosons) trapped in a d-dimensional harmonic-oscillator potential. For d=2d=2d=2 and 3,3,3, exact expressions for the N-particle densities are used to calculate perturbatively the temperature dependence of the splittings of the energy levels in a given shell due to a very weak interparticle interaction in a dilute Fermi gas. In two dimensions, we obtain analytically the surprising result that the l degeneracy in a harmonic-oscillator shell is not lifted in the lowest order even when the exact, rather than the Thomas-Fermi expression for the particle density is used. We also demonstrate rigorously (in two dimensions) the reduction of the exact zero-temperature fermionic expressions to the Thomas-Fermi form in the large-N limit.
Closed form, analytical results for the finite-temperature one-body density matrix, and Wigner function of a d -dimensional, harmonically trapped gas of particles obeying exclusion statistics are presented. As an application of our general expressions, we consider the intermediate particle statistics arising from the Gentile statistics, and compare its thermodynamic properties to the Haldane fractional exclusion statistics. At low temperatures, the thermodynamic quantities derived from both distributions are shown to be in excellent agreement. As the temperature is increased, the Gentile distribution continues to provide a good description of the system, with deviations only arising well outside of the degenerate regime. Our results illustrate that the exceedingly simple functional form of the Gentile distribution is an excellent alternative to the generally only implicit form of the Haldane distribution at low temperatures.