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Lettere al nuovo cimento della societa italiana di fisica/Lettere al nuovo cimento

Density of a many-fermion system in a harmonic-oscillator potential

J. Cugnon, O. Harouna

Published Feb 1, 1983• 2 citations
Publisher
DOI
10.1007/bf02818151

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Abstract Determination of the kinetic energy functional is one of the central problems in the density functional theory of a many‐fermion system. We consider several many‐fermion systems to be characterized by simple confining potentials: the harmonic oscillator potential in one and three dimensions, the Coulomb potential, and the potential V(x) = −Uosech2(x/L). We discuss for each of these cases the differential equation that determines the fermion density in the given potential, and the corresponding kinetic energy density. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2003

International Journal of Quantum Chemistry•Nov 18, 2002•2 citations
For the system of noninteracting fermions in a one-body potential , the local virial theorems (LVT) are relations, at a given point in space, between this potential, kinetic energy and particle densities. It was recently shown (Brack et al 2010 J. Phys. A: Math. Theor. 43 255204) that for d-dimensional linear and also for isotropic harmonic oscillator potentials these LVTs are exactly satisfied. We present alternative and simple proofs of these theorems, by consideration of the canonical or Bloch density matrix and its relation to the kinetic energy density. The explicit analytical forms of the Bloch density matrix are used for the above-mentioned potentials to achieve the proofs. For the case of linear potential, we obtain a more general result for the so-called semilocal virial theorem, and for the harmonic oscillator potential case we derive a new relationship between the diagonal part of the canonical bloch density and the kinetic energy density.
Abstract Determination of the kinetic energy functional is one of the central problems in the density functional theory of a many‐fermion system. We consider several many‐fermion systems to be characterized by simple confining potentials: the harmonic oscillator potential in one and three dimensions, the Coulomb potential, and the potential V(x) = −Uosech2(x/L). We discuss for each of these cases the differential equation that determines the fermion density in the given potential, and the corresponding kinetic energy density. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2003