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Author Sahni, Viraht ♦ Massa, Lou ♦ Singh, Ranbir ♦ Slamet, Marlina
Sponsorship (US)
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Publisher The American Physical Society
Language English
Subject Keyword PHYSICS OF ELEMENTARY PARTICLES AND FIELDS ♦ EIGENVALUES ♦ EXCITED STATES ♦ FERMIONS ♦ FUNCTIONALS ♦ IONIZATION POTENTIAL ♦ MULTIPLETS ♦ PHYSICS
Abstract We explain by quantal density functional theory the physics of mapping from any bound nondegenerate excited state of Schroedinger theory to an S system of noninteracting fermions with equivalent density and energy. The S system may be in a ground or excited state. In either case, the highest occupied eigenvalue is the negative of the ionization potential. We demonstrate this physics with examples. The theory further provides a new framework for calculations of atomic excited states including multiplet structure.
ISSN 00319007
Educational Use Research
Learning Resource Type Article
Publisher Date 2001-09-10
Publisher Place United States
Journal Physical Review Letters
Volume Number 87
Issue Number 11


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