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Annals of Physics

Asymptotic exactness of finite temperature Thomas-Fermi theory

Heide Narnhofer, Walter E Thirring

Published Jun 1, 1981• 22 citations
Publisher
DOI
10.1016/0003-4916(81)90008-7

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Surface corrections to the Fermi-Thomas statistical theory

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Nuclear Physics•Feb 1, 1959•14 citations
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.
We derive a description of the spatially inhomogeneous Bose-Einstein condensate, treating the system locally as a homogeneous Bose gas. This approach, similar to the Thomas-Fermi model for the inhomogeneous many-particle fermion system, is well suited to describe the atomic Bose-Einstein condensates that have recently been obtained experimentally through atomic trapping and cooling. In this paper, we confine our attention to the zero-temperature case, although the treatment can be generalized to finite temperatures, as we shall discuss elsewhere. Several features of this approach, which we shall call the Thomas-Fermi-Bogoliubov description, are very attractive. (i) It is simpler than the Hartree-Fock-Bogoliubov technique. We can obtain analytical results in the case of weakly interacting bosons for quantities such as the chemical potential, the local depletion, pairing, pressure, and density of states. (ii) The method provides an estimate for the error due to the inhomogeneity of the Bose-condensed system. This error is a local quantity so that the validity of the description for a given trap and a given number of trapped atoms can be tested as a function of position. We see, for example, that at the edge of the condensate the Thomas-Fermi-Bogoliubov theory always breaks down. (iii) The Thomas-Fermi-Bogoliubov description can be generalized to treat the statistical mechanics of the Bose gas at finite temperatures.
We first prove a sharp Lieb-Thirring inequality with semi-classical constant and gradient correction in one dimension. In the periodic setting, the corresponding inequality also includes a parity dependent shell-correction term, which appears to be new. Moreover, we also characterize the optimizers of these inequalities. In particular, the optimizing density profiles form a two-dimensional manifold, which we call here the Poincaré density manifold. We then apply these results to study the Thomas--Fermi--von Weizsäcker (TFW) approximation of the kinetic energy in Density Functional Theory. More precisely, we first obtain an explicit and non-asymptotic bound on the global and local error made by the TFW approximation. These bounds are controlled by the distance of the normalized density profile from the Poincaré density manifold times the number of particles. In particular, these bounds show that the TFW approximation is exact on the Poincaré manifold. We then show that, in the periodic setting, the distance between the Kohn-Sham potential and the inverse TFW potential in the natural dual Sobolev space can also be controlled by explicit density dependent constants times the distance to the Poincaré manifold. As a corollary, we prove that for a fixed density profile, the Kohn-Sham potential converges towards the inverse Thomas--Fermi potential in the high-density limit N→∞N \rightarrow \inftyN→∞ with asymptotic rate of order N−2N^{-2}N−2. This rate is shown to be optimal.