Statistical estimates of electron correlations

W. Gyorffy, Thomas M. Henderson, J. C. Greer

Research output: Journal PublicationArticlepeer-review

3 Citations (Scopus)

Abstract

While arbitrarily accurate solutions to the many-body Schrödinger equation are possible through a brute force expansion of the wave function, the length of the expansions required renders the approach intractable except for few-electron problems. By considering the form of the energy resulting from truncation of the many-particle expansion space, it is shown that accurate determination of electron correlations may be extracted from estimates of average or effective energy contributions while maintaining a reduced dimension for the expansion space. An energy formula expressed as a rational function of the expansion vector length is determined, allowing for estimates of asymptotic limits of many-body correlations.

Original languageEnglish
Article number054104
JournalJournal of Chemical Physics
Volume125
Issue number5
DOIs
Publication statusPublished - 2006
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy (all)
  • Physical and Theoretical Chemistry

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