๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Valence bond description for the ground state and several low-lying excited states of LiH

โœ Scribed by Yirong Mo; Wei Wu; Qianer Zhang


Book ID
113257963
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
1005 KB
Volume
283
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Generalized valence bond wavefunctions f
โœ P.J. Hay; W.J. Hunt; W.A. Goddard III ๐Ÿ“‚ Article ๐Ÿ“… 1972 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 686 KB

Generalized valence bond (GVB) calculations are reported for the 3BI, 'Al, and 'El states of the CH2 molecule. The GVB method is discussed and compared with other multi<onfiguration and separated pati methods. The lowest singlet state ('A') is found to lie O-517 eV about tbc lowest triplet state (3B

The ground and low-lying excited states
โœ Charles W. Bauschlicher Jr. ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 343 KB

The ground state and low-lying states of MgH: are studied at the complete-active-space self-consistent-field and multireference configuration-interaction levels of theory. The binding energies of the \*I& and 2B2 states (relative to their asymptote) are significantly larger than that of the \*A, gro