ab initio Study of the O2 (X3E-g) + Ar (1S) van der waals interaction

March 11, 2021

Journal Article

ab initio Study of the O2 (X3E-g) + Ar (1S) van der waals interaction

Abstract

A potential energy surface for the Ar(1S)+O2(X?3E?g) interaction is calculated using the supermolecular unrestricted Mo/ller–Plesset (UMP) perturbation theory and analyzed via the perturbation theory of intermolecular forces.

Published: March 11, 2021

Citation

Cybulski S.M., R.A. Kendall, G. Chalasinski, M.W. Severson, and M.M. Szczesniak-Bryant. 1997. ab initio Study of the O2 (X3E-g) + Ar (1S) van der waals interaction. Journal of Chemical Physics 106, no. 18:7731-7737. PNNL-SA-28204. doi:10.1063/1.473798