DISPERSION AND INDUCTION ENERGY DAMPING FUNCTIONS, AND THEIR SCALE WITH INTERSPECIES DISTANCE, FOR THE INTERACTION OF H- WITH H, HE AND LI ATOMS

Citation
Rj. Wheatley et Wj. Meath, DISPERSION AND INDUCTION ENERGY DAMPING FUNCTIONS, AND THEIR SCALE WITH INTERSPECIES DISTANCE, FOR THE INTERACTION OF H- WITH H, HE AND LI ATOMS, Chemical physics, 203(2), 1996, pp. 209-221
Citations number
67
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
03010104
Volume
203
Issue
2
Year of publication
1996
Pages
209 - 221
Database
ISI
SICI code
0301-0104(1996)203:2<209:DAIEDF>2.0.ZU;2-9
Abstract
Reliable calculations of the induction and dispersion energy damping f unctions, associated with the R(-n) multipolar expanded induction and dispersion energies through n = 8 and n = 10 respectively, have been c arried out for the H--B, B = H, He, Li, interactions using well correl ated monomer wave functions, for both the relevant groundstate and exc ited pseudostates, used in the pseudostate computational procedure. Th e results are used to discuss the relative scale of the induction and dispersion damping functions as a function of interspecies distance. T he results of this paper augment those of previous work on the H-H, H- He, H-Li, He-He, He-Li, Li-Li, H+-H, H+-He, H+-Li, He+-H, He+-He, He+- Li, Li+-H, Li+-He and Li+-Li interactions and, together with the previ ous work, give a body of information from which, using interspecies sc aling methods, induction and dispersion damping functions can be estim ated for a variety of other interactions. Such information is relevant for the construction of potential energy models.