Optimal control of ultrafast cis-trans photoisomerization of retinal in rhodopsin via a conical intersection

Mayumi Abe, Yukiyoshi Ohtsuki, Yuichi Fujimura, Wolfgang Domcke

研究成果: ジャーナルへの寄稿学術論文査読

81 被引用数 (Scopus)

抄録

Optimal control simulation is applied to the cis-trans photoisomerization of retinal in rhodopsin within a two-dimensional, two-electronic-state model with a conical intersection [S. Hahn and G. Stock, J. Phys. Chem. B 104, 1146 (2000)]. For this case study, we investigate coherent control mechanisms, in which laser pulses work cooperatively with a conical intersection that acts as a "wave-packet cannon." Optimally designed pulses largely consist of shaping subpulses that prepare a wave packet, which is localized along a reaction coordinate and has little energy in the coupling mode, through multiple electronic transitions. This shaping process is shown to be essential for achieving a high target yield although the envelopes of the calculated pulses depend on the local topography of the potential-energy surfaces around the conical intersection and the choice of target. The control mechanisms are analyzed by considering the motion of reduced wave packets in a nuclear configuration space as well as by snapshots of probability current-density maps.

本文言語英語
論文番号144508
ジャーナルJournal of Chemical Physics
123
14
DOI
出版ステータス出版済み - 2005 10月 8

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