Computer simulation study of liquid HF with a new effective pair potential model

Pal Jedlovszky, R. Vallauri

Research output: Contribution to journalArticle

39 Citations (Scopus)

Abstract

A new three-site effective pair potential has been developed to reproduce the properties of liquid hydrogen fluoride. Computer simulations have been performed with the new model at two thermodynamic state points. Thermodynamic properties and pair correlation functions are presented and compared with experimental data. The partial pair correlation functions obtained are compared also with the results of a reverse Monte Carlo simulation using neutron diffraction data. The newly developed potential model is found to be more realistic than the previous models.

Original languageEnglish
Pages (from-to)331-336
Number of pages6
JournalMolecular Physics
Volume92
Issue number2
DOIs
Publication statusPublished - Oct 1 1997

ASJC Scopus subject areas

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

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