An interpretation of intermolecular pair potentials obtained by inversion for non-spherical systems
- 10 December 1987
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 62 (5) , 1239-1246
- https://doi.org/10.1080/00268978700102941
Abstract
A new interpretation of the spherically-symmetric pair potential derived by inversion of the thermophysical properties for non-spherically symmetric molecular systems is presented. The interpretation is based on the original inversion equations cast in a form that makes the connection of the potential from inversion to the full anisotropic potential clearer. Tests on potential models confirm the usefulness of the new formulation because, at least for two simple models, the link between the full potential and the potential from inversion is particularly straightforward.Keywords
This publication has 7 references indexed in Scilit:
- Close-coupled calculations of transport cross-sections for a highly quantal systemMolecular Physics, 1987
- The inversion of second virial coefficients for polyatomic moleculesMolecular Physics, 1986
- The inversion of thermophysical propertiesMolecular Physics, 1986
- The inversion of thermophysical propertiesMolecular Physics, 1985
- The inversion of thermophysical propertiesMolecular Physics, 1985
- Rotationally and vibrationally inelastic scattering in the rotational IOS approximation. Ultrasimple calculation of total (differential, integral, and transport) cross sections for nonspherical moleculesThe Journal of Chemical Physics, 1978
- Intermolecular potential surfaces from electron gas methods. I. Angle and distance dependence of the He–CO2 and Ar–CO2 interactionsThe Journal of Chemical Physics, 1976