Non-isotropic solution of an OZ equation: matrix methods for integral equations

Zhuo Min Chen, B. Montgomery Pettitt

Research output: Contribution to journalArticle

3 Scopus citations

Abstract

Integral equations of the Ornstein-Zernike (OZ) type have been useful constructs in the theory of liquids for nearly a century. Only a limited number of model systems yield an analytic solution; the rest must be solved numerically. For anisotropic systems the numerical problems are heightened by the coupling of more unknowns and equations. A matrix method for solving the full anisotropic OZ integral equation is presented. The method is compared in the isotropic limit with traditional approaches. Examples are given for a 1-D fluid with a corrugated (periodic) external potential. The full two point correlation functions for both isotropic and anisotropic systems are given and discussed.

Original languageEnglish (US)
Pages (from-to)239-250
Number of pages12
JournalComputer Physics Communications
Volume85
Issue number2
DOIs
StatePublished - Feb 1995
Externally publishedYes

ASJC Scopus subject areas

  • Hardware and Architecture
  • Physics and Astronomy(all)

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