Time-independent density-functional theory for excited states of Coulomb systems

Paul W. Ayers, Mel Levy, A. Nagy

Research output: Contribution to journalArticle

26 Citations (Scopus)

Abstract

A Coulomb density is special because it determines not only its Hamiltonian but the degree of excitation as well. We derive Euler equations for excited-state energies and densities that depend only on the electron density. Unlike existing formulations, additional functions and indices are not required; with these functionals, the equations of excited-state density functional theory strongly resemble those of ground-state theory. A critical analysis of the new functionals is included.

Original languageEnglish
Article number042518
JournalPhysical Review A
Volume85
Issue number4
DOIs
Publication statusPublished - Apr 30 2012

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density functional theory
functionals
excitation
formulations
ground state
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Time-independent density-functional theory for excited states of Coulomb systems. / Ayers, Paul W.; Levy, Mel; Nagy, A.

In: Physical Review A, Vol. 85, No. 4, 042518, 30.04.2012.

Research output: Contribution to journalArticle

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