Coordinate scaling and adiabatic connection formula for ensembles of fractionally occupied excited states

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Abstract

The coordinate scaling for the density matrix of ensembles of fractional occupied states of the density functional theory is explored. The ground‐state adiabatic connection formula is extended to the ensemble exchange‐correlation energy. © 1995 John Wiley & Sons, Inc.

Original languageEnglish
Pages (from-to)225-228
Number of pages4
JournalInternational Journal of Quantum Chemistry
Volume56
Issue number4
DOIs
Publication statusPublished - 1995

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Excited states
Density functional theory
density functional theory
scaling
excitation
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

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title = "Coordinate scaling and adiabatic connection formula for ensembles of fractionally occupied excited states",
abstract = "The coordinate scaling for the density matrix of ensembles of fractional occupied states of the density functional theory is explored. The ground‐state adiabatic connection formula is extended to the ensemble exchange‐correlation energy. {\circledC} 1995 John Wiley & Sons, Inc.",
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