![](https://d3ilqtpdwi981i.cloudfront.net/Znn87YIbuTDh8gQqLFllDg3Folg=/425x550/smart/https://bepress-attached-resources.s3.amazonaws.com/uploads/dc/a9/34/dca934b6-af9d-4af3-95b0-93aab6831d54/thumbnail_96fa737d-05a5-4756-9ef1-0a09e29e4423.jpg)
Article
Quantal Density Functional Theory of Excited States
Physics Faculty Publications
Document Type
Peer-Reviewed Article
Publication Date
9-10-2001
Disciplines
Abstract
We explain by quantal density functional theory the physics of mapping from any bound nondegenerate excited state of Schrödinger 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.
DOI
10.1103/PhysRevLett.87.113002
Citation Information
Sahni, V., Massa, L., Singh, R. & Slamet, M. (2001). Quantal density functional theory of excited states. Physical Review Letters, 87(11). doi: 10.1103/PhysRevLett.87.113002