The coupling of long and short range correlations in ISM liquids

Peter J. Rossky, B. Montgomery Pettitt, George Stell

Research output: Contribution to journalArticle

61 Scopus citations

Abstract

A simple modification of the HNC-like closure within the extended RISM equation formalism is considered which assures that the asymptotic form of the site-site direct correlation functions is consistent with the dielectric constant. The short ranged structural results obtained with the modification are compared to those following from the original closure for three strongly polar diatomic models, with the result that only very small differences are found. These results demonstrate both that the short ranged results are only weakly coupled to the asymptotic amplitudes, and that the latter can potentially be corrected in a relatively straightforward manner.

Original languageEnglish (US)
Pages (from-to)1263-1271
Number of pages9
JournalMolecular Physics
Volume50
Issue number6
DOIs
StatePublished - Jan 1 1983
Externally publishedYes

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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