Gaussian Model Potentials for Molecular Interactions
- 15 April 1972
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 56 (8), 4213-4216
- https://doi.org/10.1063/1.1677837
Abstract
Simple analytical forms for the orientation dependence of the potential between two molecules are derived from a Gaussian overlap model. Orientation‐dependent range and energy parameters are determined, which can be used with any two‐parameter atomic potential to give simple and reasonable polyatomic potentials.This publication has 4 references indexed in Scilit:
- Statistical Mechanics of Linear Molecules. I. Potential Energy FunctionsThe Journal of Chemical Physics, 1967
- Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones MoleculesPhysical Review B, 1967
- Virial Coefficients and Models of Molecules in GasesReviews of Modern Physics, 1953
- The second virial coefficient of a gas of non-spherical moleculesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1948