A critical test of a few-parameter realistic potential with application to the closed-form calculation of the second virial coefficient

Abstract

A few-parameter interaction potential for diatomic molecules as introduced by Woolley (J. Chem. Phys.,1962, 37, 1307) has been tested. Molecular constants are not well represented for heteronuclear molecules, but they are very well represented for homonuclear molecules. This suggests the application of this potential to the calculation of the second virial coefficient of atomic gases and of molecular gases with isotropic interaction.