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

Mayumi Abe, Yukiyoshi Ohtsuki, Yuichi Fujimura, Wolfgang Domcke

Research output: Contribution to journalArticlepeer-review

75 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number144508
JournalJournal of Chemical Physics
Volume123
Issue number14
DOIs
Publication statusPublished - 2005 Oct 8

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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