Comparison of models for H2–H2 and H2–He anisotropic intermolecular repulsion
- 1 March 1977
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 66 (5) , 2054-2057
- https://doi.org/10.1063/1.434165
Abstract
Three empirical potential models (dumbbell, Kihara, and ellipsoidal overlap) are fitted to theoretical calculations of H2–H2 and H2–He repulsion. The dumbbell model gives a slightly better fit and has better transferability. This model is recommended because of its simplicity and physical meaningfulness.Keywords
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