SYMMETRY-ADAPTED PERTURBATION-THEORY APPLIED TO INTERACTION-INDUCED PROPERTIES OF COLLISIONAL COMPLEXES

Citation
Tga. Heijmen et al., SYMMETRY-ADAPTED PERTURBATION-THEORY APPLIED TO INTERACTION-INDUCED PROPERTIES OF COLLISIONAL COMPLEXES, Molecular physics, 89(1), 1996, pp. 81-110
Citations number
104
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
89
Issue
1
Year of publication
1996
Pages
81 - 110
Database
ISI
SICI code
0026-8976(1996)89:1<81:SPATIP>2.0.ZU;2-Y
Abstract
A symmetry-adapted perturbation theory (SAPT) is formulated for intera ction-induced electrical properties of weakly bound complexes. Asympto tic (large R) expressions are reported for the contributions to the co llision-induced dipole moments and polarizabilities up to and includin g second order in the intermolecular potential. These long-range expre ssions require knowledge only of the multipole moments and (hyper)pola rizabilities of the isolated monomers. Numerical results are given for the dipole moment of He-H-2 and the polarizability of He-2 and the ac curacy of the SAPT approach is examined by comparison with full config uration interaction results. The role of various physical contribution s to the dipole moment of He-H-2 and the polarizability of He-2 is inv estigated. The validity of the long-range approximation and the import ance of charge penetration (damping) effects are discussed.