title: Vibronic induced one- and two-photon absorption in a charge-transfer stilbene derivate.
abstract: Both the electronic and the vibronic contributions to one- and two-photon absorption of a D-pi-D charge-transfer molecule (4-dimethylamino-4'-methyl-trans stilbene) are studied by means of density functional response theory combined with a linear coupling model. Vibronic profiles of the first four excited states are fully explored. The dominating vibrational modes for both Franck-Condon and Herzberg-Teller contributions are identified. The Franck-Condon contribution dominates the spectra of first, second, and fourth excited states. The Herzberg-Teller contribution is on the other hand of comparable size for the third excited state, where its inclusion leads to a blueshift with respect to the vertical transition. A similar vibronic coupling behavior is found for both one- and two-photon absorptions.
authors.affiliation: Institute of Crystal Materials, Shandong University, 250100 Jinan, Shandong, People's Republic of China.
authors.forename: Na
authors.initials: N
authors.lastname: Lin
authors.forename: Xian
authors.initials: X
authors.lastname: Zhao
authors.forename: Antonio
authors.initials: A
authors.lastname: Rizzo
authors.forename: Yi
authors.initials: Y
authors.lastname: Luo