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Journal article

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

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.

Authors

Ayers PW; Levy M; Nagy A

Journal

Physical Review A, Vol. 85, No. 4,

Publisher

American Physical Society (APS)

Publication Date

April 1, 2012

DOI

10.1103/physreva.85.042518

ISSN

2469-9926

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