Journal
PHYSICAL REVIEW LETTERS
Volume 87, Issue 11, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.87.113002
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We explain by quantal density functional theory the physics of mapping from any bound nondegenerate excited state of Schrodinger 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.
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