POTENTIALS FOR SOME RARE-GAS AND ALKALI-HELIUM SYSTEMS CALCULATED FROM THE SURFACE INTEGRAL METHOD

Citation
U. Kleinekathofer et al., POTENTIALS FOR SOME RARE-GAS AND ALKALI-HELIUM SYSTEMS CALCULATED FROM THE SURFACE INTEGRAL METHOD, Chemical physics letters, 249(3-4), 1996, pp. 257-263
Citations number
36
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
249
Issue
3-4
Year of publication
1996
Pages
257 - 263
Database
ISI
SICI code
0009-2614(1996)249:3-4<257:PFSRAA>2.0.ZU;2-6
Abstract
The van der Waals potential curves of H-2((3) Sigma), He-2, Ne-2, HeNe , HHe, LiHe, NaHe, KHe, RbHe and CsHe have been calculated using a rec ently derived simple: analytical formula. The repulsive potential is b ased on exchange energies calculated from the surface integral method applied to multielectron systems. With the exception of the long-range dispersion coefficients, all the input parameters are atomic properti es of the free constituent atoms. The calculated curves agree well wit h both experimental and ab initio theoretical data.