LEBEDA-SCHRADER PERTURBATION CALCULATIONS ON H-2

Authors
MAGNASCO V SICILIANO A FIGARI G
Citation
V. Magnasco et al., LEBEDA-SCHRADER PERTURBATION CALCULATIONS ON H-2, Chemical physics letters, 228(1-3), 1994, pp. 177-182
Citations number
20
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
228
Issue
1-3
Year of publication
1994
Pages
177 - 182
Database
ISI
SICI code
0009-2614(1994)228:1-3<177:LPCOH>2.0.ZU;2-O
Abstract
Lebeda-Schrader perturbation calculations are performed for ground and excited states of H-2 using an Inui psi(0). The first-order function is expanded in a two-centre basis set of linear pseudostates involving powers of spheroidal coordinates and explicitly including the interel ectronic distance. Third-order results give errors well below 1% with respect to the corresponding variational values.