Exchange-correlation potentials in the adiabatic connection fluctuation-dissipation framework

Y. M. Niquet, M. Fuchs, X. Gonze

Research output: Contribution to journalArticlepeer-review

71 Citations (Scopus)

Abstract

We provide the expression of the exchange-correlation potential in the adiabatic connection fluctuation-dissipation (ACFD) framework, for arbitrary time-dependent (TD) kernels. We investigate the asymptotic behavior of the ACFD potential in three relevant approximations: the random-phase approximation, the exact-exchange kernel in two-electron systems, and the adiabatic local-density approximation. We show that these potentials have the expected [Formula Presented] tail (in closed-shell systems with spherical symmetry), where Q and [Formula Presented] depend on the TD kernel and reflect the physics included in each approximation. We also discuss approximate ACFD potentials that are much simpler to compute than the exact ones while being likely of reasonable accuracy.

Original languageEnglish
Article number032507
Pages (from-to)032507/1-032507/13
Number of pages1
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume68
Issue number3
DOIs
Publication statusPublished - Sep 2003
Externally publishedYes

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