Portal de Periódicos da CAPES

Eigenfunctions and eigenvalues of the Thomas-Fermi density matrix. The simple harmonic oscillator

1973; American Institute of Physics; Volume: 58; Issue: 7 Linguagem: Inglês

10.1063/1.1679583

1520-9032

George S. Handler, Virginia L. Benton,

Spectroscopy and Quantum Chemical Studies

The eigenfunctions and eigenvalues of a Hermitian Thomas-Fermi density matrix for the one-dimensional harmonic oscillator are examined in detail. The major defect of Thomas-Fermi theory is shown to be the departure of the density matrix from N representability. The imposition of indempotency leads to greatly improved particle densities, including very well developed density oscillations.