HELIUM DIMER POTENTIAL FROM SYMMETRY-ADAPTED PERTURBATION-THEORY

Citation
Hl. Williams et al., HELIUM DIMER POTENTIAL FROM SYMMETRY-ADAPTED PERTURBATION-THEORY, Chemical physics letters, 262(3-4), 1996, pp. 431-436
Citations number
36
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
262
Issue
3-4
Year of publication
1996
Pages
431 - 436
Database
ISI
SICI code
0009-2614(1996)262:3-4<431:HDPFSP>2.0.ZU;2-7
Abstract
The intermolecular potential for the helium dimer has been computed us ing infinite-order symmetry-adapted perturbation theory and very large orbital and explicitly correlated basis sets. Our potential is signif icantly deeper than recent literature potentials, After adding the rel ativistic retardation correction, it accurately reproduces bulk proper ties of helium, the inclusion of retardation being essential for this agreement. Transport properties and virial coefficients are expected t o be accurate enough to calibrate measuring apparatus.