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Electronically excited states of chlorine monofluoride: A multi-reference configuration interaction study

โœ Scribed by Katherine Valenta Darvesh; Russell J. Boyd; Sigrid D. Peyerimhoff


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
703 KB
Volume
121
Category
Article
ISSN
0301-0104

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๐Ÿ“œ SIMILAR VOLUMES


A doubles correction to electronic excit
โœ Martin Head-Gordon; Rudolph J. Rico; Manabu Oumi; Timothy J. Lee ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 819 KB

A perturbative correction to the method of configuration interaction with single substitutions (CIS) is presented. This CIS( D) correction approximately introduces the effect of double substitutions which are absent in CIS excited states. CIS (D) is a secondorder perturbation expansion of the couple