Excitation energies from time-dependent density-functional theory

M. Petersilka, U. J. Gossmann, E. K.U. Gross

Research output: Contribution to journalArticlepeer-review

1501 Scopus citations

Abstract

A new density-functional approach to calculate the excitation spectrum of many-electron systems is proposed. It is shown that the full linear density response of the interacting system, which has poles at the exact excitation energies, can rigorously be expressed in terms of the response function of the noninteracting (Kohn-Sham) system and a frequency-dependent exchange-correlation kernel. Using this expression, the poles of the full response function are obtained by systematic improvement upon the poles of the Kohn-Sham response function. Numerical results are presented for atoms.

Original languageAmerican English
Pages (from-to)1212-1215
Number of pages4
JournalPhysical Review Letters
Volume76
Issue number8
DOIs
StatePublished - 1996
Externally publishedYes

Fingerprint

Dive into the research topics of 'Excitation energies from time-dependent density-functional theory'. Together they form a unique fingerprint.

Cite this