Expansion of the density-functional energy components [Formula Presented] and [Formula Presented] in terms of moments of the electron density

Shubin Liu, Ágnes Nagy, Robert G. Parr

Research output: Contribution to journalArticle

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Abstract

Starting from known identities in density-functional theory, it is shown that for finite electronic systems the density functionals [Formula Presented] and [Formula Presented] can be expanded in terms of powers of the classical moments [Formula Presented] of the electron density, with the expansion coefficients of the two series related in a simple way. For neutral atoms and coupling constant [Formula Presented] two-term universal linear expansions are demonstrated to be reasonably accurate: [Formula Presented] and [Formula Presented] where Z is the atomic number. The factors [Formula Presented] and Z in these formulas are rationalized.

Original languageEnglish
Pages (from-to)1131-1134
Number of pages4
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume59
Issue number2
DOIs
Publication statusPublished - Jan 1 1999

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ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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