Abstract
We investigate the applicability of the median and Barker-Henderson prescriptions for obtaining spherical reference systems for three models: hard linear triatomics, hard heteronuclear dumbbells, and two-component mixtures of hard dumbbells. We propose an empirical method for determining the median potential for systems lacking a high degree of symmetry. For mixtures of hard molecules, we find that both the median and Barker-Henderson prescriptions give rise to approximately additive hard-sphere reference potentials.
Original language | English (US) |
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Pages (from-to) | 6488-6491 |
Number of pages | 4 |
Journal | Journal of physical chemistry |
Volume | 88 |
Issue number | 26 |
DOIs | |
State | Published - 1984 |
ASJC Scopus subject areas
- Engineering(all)
- Physical and Theoretical Chemistry