Skip to main content
Article
Intermolecular Potential of the Methane Dimer and Trimer
Journal of Chemical Physics
  • M. M. Szczesniak
  • G. Chalansinski
  • S. M. Cybulski
  • Steve Scheiner, Utah State University
Document Type
Article
Publication Date
1-1-1990
DOI
10.1063/1.458757
Disciplines
Abstract

The Heitler–London (HL) exchange energy is responsible for the anisotropy of the pair potential in methane. The equilibrium dimer structure is that which minimizes steric repulsion between hydrogens belonging to opposite subsystems. Dispersion energy, which represents a dominating attractive contribution, displays an orientation dependence which is the mirror image of that for HL exchange. The three‐body correction to the pair potential is a superposition of HL and second‐order exchange nonadditivities combined with the Axilrod–Teller dispersion nonadditivity. A great deal of cancellation between these terms results in near additivity of methane interactions in the long and intermediate regions.

Comments

Originally published by American Institute of Physics in the  Journal of Chemical Physics.

Publisher's PDF can be accessed through the remote link.

Citation Information
Intermolecular potential of the methane dimer and trimer M. M. Szczesniak, G. Chalasinski, S. M. Cybulski, and S. Scheiner, J. Chem. Phys. 93, 4243 (1990), DOI:10.1063/1.458757