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arXiv:cond-mat/0211156 · Journal of Physics A Mathematical and General

Harmonically trapped fermion gases: exact and asymptotic results in arbitrary dimensions

M. Brack, M V N Murthy

Published Jan 15, 2003• 35 citations
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Abstract

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.

DOI
10.1088/0305-4470/36/4/318

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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 derive simple analytical expressions for the particle density $\ensuremath{\rho}(r)$ and the kinetic energy density $\ensuremath{\tau}(r)$ for a system of noninteracting fermions in a ddd-dimensional isotropic harmonic oscillator potential. We test the Thomas-Fermi (TF, or local-density) approximation for the functional relation $\ensuremath{\tau}[\ensuremath{\rho}]$ using the exact $\ensuremath{\rho}(r)$ and show that it locally reproduces the exact kinetic energy density $\ensuremath{\tau}(r)$, including the shell oscillations, surprisingly well everywhere except near the classical turning point. For the special case of two dimensions (2D), we obtain the unexpected analytical result that the integral of ${\ensuremath{\tau}}_{\mathrm{TF}}[\ensuremath{\rho}(r)]$ yields the exact total kinetic energy.
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 investigate the particle and kinetic-energy densities for a system of N fermions confined in a potential V (r). In an earlier paper (Brack and Murthy 2003 J. Phys. A: Math. Gen. 36 1111), some exact and asymptotic relations involving the particle density and the kinetic-energy density locally, i.e. at any given point r, were derived for isotropic harmonic oscillators in arbitrary dimensions. In this paper, we show that these local virial theorems (LVTs) also hold exactly for linear potentials in arbitrary dimensions and for the one-dimensional box. We also investigate the validity of these LVTs when they are applied to arbitrary smooth potentials. We formulate generalized LVTs that are suggested by a semiclassical theory which relates the density oscillations to the closed non-periodic orbits of the classical system. We test the validity of these generalized theorems numerically for various local potentials. Although formally they are only valid asymptotically for large particle numbers N, we show that practically they are surprisingly accurate also for moderate values of N.
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.