Ground state potentials for alkaline-earth-helium diatoms calculated by the surface integral method

Citation
U. Kleinekathofer, Ground state potentials for alkaline-earth-helium diatoms calculated by the surface integral method, CHEM P LETT, 324(5-6), 2000, pp. 403-410
Citations number
35
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
324
Issue
5-6
Year of publication
2000
Pages
403 - 410
Database
ISI
SICI code
0009-2614(20000714)324:5-6<403:GSPFAD>2.0.ZU;2-H
Abstract
Using a recently derived simple formula the van der Waals ground state pote ntial curves of alkaline-earth-helium pairs BeHe, MgHe, CaHe, SrHe, and BaH e have been calculated. The repulsive potential is based on exchange energi es calculated from the surface integral method applied to multielectron sys tems. With the exception of the long-range dispersion coefficients all the input parameters are atomic properties of the free atoms. The agreement wit h the available potentials from the literature is reasonable. (C) 2000 Else vier Science B.V. All rights reserved.