On the connection between the reference interaction site model integral equation theory and the partial wave expansion of the molecular Ornstein-Zernike equation

Authors
Ten-no, S Iwata, S
Citation
S. Ten-no et S. Iwata, On the connection between the reference interaction site model integral equation theory and the partial wave expansion of the molecular Ornstein-Zernike equation, J CHEM PHYS, 111(11), 1999, pp. 4865-4868
Citations number
24
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
11
Year of publication
1999
Pages
4865 - 4868
Database
ISI
SICI code
0021-9606(19990915)111:11<4865:OTCBTR>2.0.ZU;2-0
Abstract
We develop an integral equation theory based on the partial wave expansion of the molecular Ornstein-Zernike (OZ) equation. The theory provides a rigo rous and transparent framework for multiple site treatments of molecular fl uids. We examine free-energy functional and closure expressions with pilot calculations of homonuclear diatomic Lennard-Jones liquids. (C) 1999 Americ an Institute of Physics. [S0021-9606(99)52535-X].