pith. sign in

arxiv: cond-mat/0602064 · v1 · submitted 2006-02-03 · ❄️ cond-mat.mtrl-sci

Local-density approximation for exchange energy functional in excited-state density functional theory

classification ❄️ cond-mat.mtrl-sci
keywords functionalenergyexcited-stateapproximationdensityenergiesexchangelocal-density
0
0 comments X
read the original abstract

An exchange energy functional is proposed and tested for obtaining a class of excited-state energies using density functional formalism. The functional is the excited-state counterpart of the local-density approximation functional for the ground state. It takes care of the state dependence of the energy functional and leads to highly accurate excitation energies.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.