Spurious interactions, and their correction, in the ensemble-Kohn-Sham scheme for excited states

N. I. Gidopoulos; P. G. Papaconstantinou; E. K.U. Gross

Spurious interactions, and their correction, in the ensemble-Kohn-Sham scheme for excited states

N. I. Gidopoulos^*, P. G. Papaconstantinou, E. K.U. Gross

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

90 Scopus citations

Abstract

A new orbital functional, to be used in the ensemble OEP formalism, is proposed. The functional arises from the central observation that the same ensemble Hartree term contains an additional spurious (self-like) interaction of the ensemble KS potential.

Original language	English
Article number	033003
Pages (from-to)	033003/1-033003/4
Journal	Physical Review Letters
Volume	88
Issue number	3
State	Published - 21 Jan 2002
Externally published	Yes

Cite this

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abstract = "A new orbital functional, to be used in the ensemble OEP formalism, is proposed. The functional arises from the central observation that the same ensemble Hartree term contains an additional spurious (self-like) interaction of the ensemble KS potential.",

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PY - 2002/1/21

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ER -

Spurious interactions, and their correction, in the ensemble-Kohn-Sham scheme for excited states

Abstract

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