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Vibronic coupling in two-photon absorption

โœ Scribed by T.J. Barker; R.G. Denning; J.R.G. Thorne


Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
200 KB
Volume
38
Category
Article
ISSN
0022-2313

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The one and two-photon spectra of the lowest electronic states of pyrimidine are analyzed by means of response theory calculations. Particular attention is paid to the lower onsphoton forbidden (nrt') 'A2 andonaphoton allowed (r&) 'Bi and 'B2 states. Despite being electronically allowed it is found

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A CNDO/S Cl calculation of the two-photon vibronic activity of some btu and bzu vibrational modes of pyrenc is prcsented. The two-photon amplitude tensor is discussed in terms of vibronic coupling cocfticients calculated by means of the orbitat-following method. The results are in good agreement wit