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Singlet and triplet excited state electric dipole polarizabilities of conjugated hydrocarbons

✍ Scribed by M. Trsic; J. E. Sanhueza; Ll. Espinoza

Publisher
John Wiley and Sons
Year
1976
Tongue
English
Weight
403 KB
Volume
10
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

First excited singlet and triplet electric dipole polarizabilities are reported. The Ο€ polarizability is calculated by means of a modified Rayleigh–SchrΓΆdinger perturbation theory and an SCF‐LCAO basis. The Οƒ contribution is included by an additive scheme. The polarization of the Οƒ electrons is partially accounted for through an empirical correction. Results compare satisfactorily with a configuration interaction perturbation calculation.

πŸ“œ SIMILAR VOLUMES

Electric Ο€ dipole polarizabilities in th
Electric Ο€ dipole polarizabilities in the ground and first excited singlet states of N-retinylidene derivatives
✍ Ll. Espinoza; M. Trsic; E. Sanhueza πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 189 KB

Ground and first escited singlet state electric rr dipolc pohrimbilitics for a set of 13 N-retinylidene derivatives arc reported. The cnlculntions arc made by means of second order perturbation theory with Hkckcl state functions as a basis.