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arXiv:cond-mat/0607735 · Physical Review C

Average ground-state energy of finite Fermi systems

M. Centelles, P. Lebœuf, Alejandro Monastra, Jérôme Roccia, Peter Schuck, X. Viñas

Published Sep 29, 2006• 15 citations
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Abstract

Semiclassical theories such as the Thomas-Fermi and Wigner-Kirkwood methods give a good description of the smooth average part of the total energy of a Fermi gas in some external potential when the chemical potential is varied. However, in systems with a fixed number of particles $N$, these methods overbind the actual average of the quantum energy as $N$ is varied. We describe a theory that accounts for this effect. Numerical illustrations are discussed for fermions trapped in a harmonic oscillator potential and in a hard-wall cavity, and for self-consistent calculations of atomic nuclei. In the latter case, the influence of deformations on the average behavior of the energy is also considered.

DOI
10.1103/physrevc.74.034332

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Semiclassical theories such as the Thomas-Fermi and Wigner-Kirkwood methods give a good description of the smooth average part of the total energy of a Fermi gas in some external potential when the chemical potential is varied. However, in systems with a fixed number of particles NNN, these methods overbind the actual average of the quantum energy as NNN is varied. We describe a theory that accounts for this effect. Numerical illustrations are discussed for fermions trapped in a harmonic oscillator potential and in a hard-wall cavity, and for self-consistent calculations of atomic nuclei. In the latter case, the influence of deformations on the average behavior of the energy is also considered.
In the application of the extended Thomas-Fermi (ETF) method to a many-fermion system, only those terms in the ft expansion will be included that give finite contribution to the energy. The ETF model yields the smooth part of the level density and other quantities. It will be derived from the E. Wigner-J. G. Kirkwood. It discusses the ETF density variational method and its use for obtaining in a self-consistent way the average parts of the energy and other observables of a many-fermion system in its ground state. Finally, a numerical smoothing of the level density may also be done, by replacing each delta function spike by an appropriate smoothing function, like a Gaussian or a Lorentzian. Since the TF approximation is obtained by replacing the sum over the quantum states by the integral over classical phase space, it is not surprising that it amounts to taking the inverse Laplace transform of the classical canonical partition function.
We study normal state properties of an interacting Fermi gas in an isotropic harmonic trap of arbitrary dimensions. We exactly calculate the first-order perturbation terms in the ground-state energy and chemical potential, and obtain simple analytic expressions of the total energy and chemical potential. At zero temperature, we find that the Thomas–Fermi approximation agrees well with the exact results for any dimension even though the system is small. In the high-temperature (classical) region, we find the interaction energy decreases in proportion to T − d /2 , where T is the temperature and d is the dimension of the system.
We consider N fermions in a two-dimensional harmonic oscillator potential interacting with a very short-range repulsive pair-wise potential. The ground-state energy of this system is obtained by performing a Thomas-Fermi as well as a self-consistent Hartree-Fock calculation. The two results are shown to agree even for a small number of particles. We next use the finite-temperature Thomas-Fermi method to demonstrate that in the local density approximation, these interacting fermions are equivalent to a system of noninteracting particles obeying the Haldane-Wu fractional exclusion statistics. It is also shown that mapping onto a system of N noninteracting quasiparticles enables us to predict the energies of the ground and excited states of the N-body system. PACS Nos.: 05.30-d, 73.20Dx
We consider a small and fixed number of fermions in a trap. The ground state of the system is defined at T=0. For a given excitation energy, there are several ways of exciting the particles from this ground state. We formulate a method for calculating the number fluctuation in the ground state using microcanonical counting, and implement it for noninteracting fermions in harmonic confinement. This exact calculation for fluctuation, when compared with canonical or grand canonical ensemble averaging, gives considerably different results. This difference is expected to persist at low excitation even when the fermion number in the trap is large. For comparison, the well-known bosonic results are also given.
The methods employed in the previous papers of this series for the ground-state energy of a normal Fermion system are extended to finite temperatures. The basic assumption is that the density matrix of the actual system in thermodynamic equilibrium can be derived by adiabatic transformation from the density matrix of system of noninteracting particles at the same temperature, volume, and chemical potential. However, the spectrum of the noninteracting system must be dependent on the intensive parameters. The self-consistency of the scheme is exhibited by demonstrating that the effective potential characterizing this system can be related to the self-energy operator of the actual system. Two equivalent versions of the theory are derived. In one of these the basic equations are precisely those of the Landau theory of Fermi liquids with the difference, however, that all quantities are given explicitly from first principles.