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Transition functional schemes for molecular transition energies

โœ Scribed by Barry Tennant Pickup; David Warren Sabo; David Firsht

Book ID
104805347
Publisher
Springer
Year
1980
Tongue
English
Weight
431 KB
Volume
56
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES

Effective potentials for spectator group
Effective potentials for spectator groups in molecular systems. Transition energies and transition moments
โœ Malte von Arnim; Sigrid D. Peyerimhoff ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 645 KB

It is shown that the method for the description of spectator poups in molecular systems by an effective potential as discussed by von Amim can be employed easily in configuration interaction calculations. Not only energies but also the wavefunctions seem to be described satisfactorily. This is demon