On the theory of intermolecular forces between inert gas atoms

✍ Scribed by J. Lloyd; D. Pugh

• Publisher: Elsevier Science
• Year: 1974
• Tongue: English
• Weight: 252 KB
• Volume: 26
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(74)85415-1

✦ Synopsis

The method described by Gordon and Kim and modified by Rae has been further modiIkd to restrict the self-exchange correction to nn electron gas composed of the outer shell electrons. Revised rcsuhs are presented for the interaction potentials between various pairs of inert gas atoms.

Gordon and Kim [l] have described a method for calculating the intermolecular potential energy between closed shell systems at short and intermediate separations. In their method the electronic charge density at all points is put equal to the sum of the atomic charge densities. The Coulombic interactiorl terms are then calculated exactly within this approximation and the kinetic energy, exchange and.correlation energies

Dispersion energy coefficients (au)

c6 cs

Cl0

References Kr-Kr