Orbital-dependent nonlocal correlation energy functional constructed from a Jastrow function: Application to atoms and ions

Naoto Umezawa, Toyohiro Chikyow

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

An orbital-dependent nonlocal correlation energy functional has been derived from an energy formula defined in the transcorrelated method. The obtained functional explicitly depends on a Jastrow function, which has been successfully used for the electron gas and solids. We found that our correlation energy functional is successfully used with the exact exchange energy functional and gives relatively good estimates for the total energy and the ionization potential for atoms and ions.

Original languageEnglish
Article number062116
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume73
Issue number6
DOIs
Publication statusPublished - 2006

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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