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On the origin of a low-lying forbidden transition in polyenes and related molecules

✍ Scribed by K. Schulten; M. Karplus

Publisher: Elsevier Science
Year: 1972
Tongue: English
Weight: 506 KB
Volume: 14
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(72)80120-9

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✦ Synopsis

It is demonstrated that the inclusion of double-excited configurations in semi-cmpiricclf and B priuri calculations of polycnes leads to a significant alteration of the spectrum. In areement with the recent experiment of Hudson and liohlor, a forbidden ('A,) state appears below the strongly allmved ('I3,) state.

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