Fortran codes for the correlation functions of hard sphere fluids

Authors: Smith, W. R.¹; Henderson, D. J.²; Leonard, P. J.³; Barker, J. A.⁴; Grundke, E. W.⁵

Source: Molecular Physics, Volume 106, Number 1, October 2007 , pp. 3-7(5)

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Abstract:

Our Fortran codes for hard sphere fluids and their mixtures for the correlation functions that arise from the Percus-Yevick theory and the Verlet-Weis semi-empirical correction have proven useful during a period of nearly four decades and continue to be useful. In order to make these codes even more widely available, a brief summary is presented here and listings of these codes are given in the electronically accessible Supplementary Material to this paper.

Keywords: Fortran codes; Correlation functions; Hard sphere fluids

Document Type: Research article

DOI: http://dx.doi.org/10.1080/00268970701628423

Affiliations: 1: Faculty of Science, University of Ontario Institute of Technology, Oshawa, ON L1H 7K4, Canada 2: Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602-5700, USA 3: Department of Applied Mathematics, University of Waterloo, Waterloo, ON N2L 3G1, Canada 4: BM Almaden Research Center, San Jose, CA 95120, USA 5: Faculty of Computer Science, Dalhousie University, Halifax, NS B3H 1W5, Canada

Publication date: 2007-10-01

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