CONTINUOUS REPRESENTATIONS IN THE STATISTICAL THEORY OF ELECTRONIC ENERGIES
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Date
1963
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Publisher
Ohio State University
Abstract
“An investigation of alternative bases of representation has been conducted for the hydrogen atom in order to remove singularities in charge densities at nuclei associated with Thomas-Fermi theory. The result is a generalized Thomas-Fermi that includes the usual one as a special case. The Hamiltonian H was partitioned into $H_{o} + H’$, and a basis defined by $H_{o} \Psi_{k} = E^{o}_{k} \Psi_{k}$. The treatment, leads to an expression for the single particle density that reduces to the Thomas-Fermi density in the limiting case. The energy of the H-atom calculated in this way shows a notable improvement over that calculated from Thomas-Fermi theory.”
Description
Author Institution: Brandeis University; Tufts University