Electronic excited states of linear conjugated polyenes
β Scribed by Yamabe, Tokio; Akagi, Kazuo; Matsui, Tooru; Fukui, Kenichi; Shirakawa, Hideki
- Book ID
- 121334388
- Publisher
- American Chemical Society
- Year
- 1982
- Tongue
- English
- Weight
- 593 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0022-3654
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π SIMILAR VOLUMES
## Abstract Dressed TDDFT method is applied to the calculations of lowβlying electronic excited states of selected linear polyenes and Ξ±,Οβdiphenylopolyenes. It is shown that proper accounting for doubly excited configurations is necessary to correctly describe excitation energies and geometrical s
Asymmstrlcal vlbnuonc mducc smnll osclllnlmp dipole moments m the ground states of Incar all-~rans polyencs Upon vcrt~cal e\crtdtion into one ol the two low-lying valence cvcited stales the mduccd m-plane dipole momcnls arc mcrcsed 3 trmcs and mcwc The tms dipole moments mcrc~sc wwth rhe cham length