VARIATIONALLY IMPROVING THE INUI WAVE-FUNCTION FOR H-2

Authors
MAGNASCO V SICILIANO A FIGARI G
Citation
V. Magnasco et al., VARIATIONALLY IMPROVING THE INUI WAVE-FUNCTION FOR H-2, Chemical physics letters, 213(1-2), 1993, pp. 17-26
Citations number
19
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
213
Issue
1-2
Year of publication
1993
Pages
17 - 26
Database
ISI
SICI code
0009-2614(1993)213:1-2<17:VITIWF>2.0.ZU;2-N
Abstract
The two-parameter Inui wavefunction for the ground and excited states of H-2 is improved variationally through an expansion in powers of con focal spheroidal coordinates including the interelectronic distance. A single 69-term expansion gives, for both states, fairly accurate inte raction energies in the region of the chemical and van der Waals bond.