There are no unfilled shells in unrestricted hartree-fock theory

Volker Bach, Elliott Lieb, Michael Loss, Jan Philip Solovej

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

We prove that in an exact, unrestricted Hartree-Fock calculation each energy level of the Hartree-Fock equation is either completely filled or completely empty. The only assumption needed is that the two-body interaction is-like the Coulomb interaction-repulsive; it could, however, be more complicated than a simple potential; e.g., it could have tensor forces and velocity dependence. In particular, the Hartree-Fock energy levels of atoms and molecules, often called shells, are never partially filled.

Original languageEnglish (US)
Title of host publicationThe Stability of Matter
Subtitle of host publicationFrom Atoms to Stars: Fourth Edition
PublisherSpringer Berlin Heidelberg
Pages313-315
Number of pages3
ISBN (Print)3540420835, 9783540222125
DOIs
StatePublished - Jan 1 2005

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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