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arXiv:cond-mat/0009076 · Physical Review Letters

Exact Particle and Kinetic-Energy Densities for One-Dimensional Confined Gases of Noninteracting Fermions

Patrizia Vignolo, Anna Minguzzi, M. P. Tosi

Published Oct 2, 2000• 73 citations
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Abstract

We propose a new method for the evaluation of the particle density and kinetic pressure profiles in inhomogeneous one-dimensional systems of noninteracting fermions, and apply it to harmonically confined systems of up to N = 1000 fermions. The method invokes a Green's function operator in coordinate space, which is handled by techniques originally developed for the calculation of the density of single-particle states from Green's functions in the energy domain. In contrast to the Thomas-Fermi approximation, the exact profiles show negative local pressure in the tails and a prominent shell structure which may become accessible to observation in magnetically trapped gases of fermionic alkali atoms.

DOI
10.1103/physrevlett.85.2850

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We propose a new method for the evaluation of the particle density and kinetic pressure profiles in inhomogeneous one-dimensional systems of noninteracting fermions, and apply it to harmonically confined systems of up to N = 1000 fermions. The method invokes a Green's function operator in coordinate space, which is handled by techniques originally developed for the calculation of the density of single-particle states from Green's functions in the energy domain. In contrast to the Thomas-Fermi approximation, the exact profiles show negative local pressure in the tails and a prominent shell structure which may become accessible to observation in magnetically trapped gases of fermionic alkali atoms.
We present a Green's-function method for the evaluation of the particle density profile and of the higher moments of the one-body density matrix in mesoscopic systems containing a large number N of Fermi particles moving independently on a line under an external potential. The usefulness of the method is illustrated by applications to a Fermi gas confined in a harmonic potential well, for which we evaluate the momentum flux density, entering the equations of generalized hydrodynamics, and the kinetic energy density, which is relevant to the density-functional theory. As a further application of the method we explicitly display the quantum mean square fluctuations of these quantities. We also study some properties of the kinetic energy functional Ekin[n(x)]{E}_{\mathrm{kin}}[n(x)]Ekin​[n(x)] in the same system. Whereas a local approximation to the kinetic energy density is demonstrably wrong, an exact single-valued relationship between the density derivative of Ekin[n(x)]{E}_{\mathrm{kin}}[n(x)]Ekin​[n(x)] and the particle density n(x)n(x)n(x) is demonstrated and evaluated for various values of the number of particles in the system.
We develop a Green's function method to evaluate the exact equilibrium particle-density profiles of noninteracting Fermi gases in external harmonic confinement in any spatial dimension and for arbitrary trap anisotropy. While in a spherically symmetric configuration the shell effects are negligible in the case of a large number of particles, we find that for very anisotropic traps the quantum effects due to single-level occupancy and the deviations from the Thomas-Fermi approximation are also visible for mesoscopic clouds.
We extend to finite temperature a Green's-function method that was previously proposed to evaluate ground-state properties of mesoscopic clouds of noninteracting fermions moving under harmonic confinement in one dimension. By calculations of the particle and kinetic-energy density profiles, we illustrate the role of thermal excitations in smoothing out the quantum shell structure of the cloud and in spreading the particle spill out from quantum tunnel at the edges. We also discuss the approach of the exact density profiles to the predictions of a semiclassical model often used in the theory of confined atomic gases at finite temperature.
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.