๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Calculations of singlet and triplet states of some azabenzenes by modified INDO-CI

โœ Scribed by Sis-Yu Chen; Richard M. Hedges


Book ID
104791281
Publisher
Springer
Year
1973
Tongue
English
Weight
320 KB
Volume
31
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


SAC-CI and full-CI calculations for the
โœ Hiroshi Nakatsuji; Kimihiko Hirao; Yoshihiro Mizukami ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 275 KB

The accuracy of the SAC-Cl (symmetry-adapted-cluster configuration-interaction) method is examined for the singlet and triplet excited states of Hz0 by comparison with the full-Cl results for the [4s2p] basis set. The SAC-C1 results for the excitation energy agree with the full-Cl results to within

Full CI and SAC CI calculations for ioni
โœ K. Hirao; Y. Hatano ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 474 KB

Full CI calculations are performed for ionized states, electronattached states and triplet excited states of HzO. The calcularions are compared with our recently developed SAC CI results. The trends of the results are found to be encoura\_ging.