Dynamical Theory of the Photoisomerization of Rhodopsin Chromophore. II. How to Calculate the Integrals Related with Transient π-Electronic States

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概要

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• Based on the ZDO approximation of the LCAO-ASMO-SCF-CI theory of π-electrons, we show the methods of calculating the integrals <Ψ_r|∂Ψ_s|∂Θ>, <Ψ_r|∇(d)^TG∇(d)Ψ_s> and <Ψ_r|∇(d)^TΨ_s> in the basic equation of photoisomerization which was derived in the pervious paper I with a due account of the kinetic energy of atomic cores. Here {Ψ_r} represent the transient π-electronic states of rhodopsin chromophore ; Θdoes the angle of photoisomerization ; d is the internal displacement coordinate of the chromophore ; G denotes the matrix G in Wilson's GF matrix method. It is also shown that the second and third integrals mentioned above can be reduced to the first one in a good approximation, and that the three integrals play very important roles in the photoisomerization of the chromophore.

• 社団法人日本物理学会の論文
• 1995-03-15

著者

• Suzuki Hideo

  Department of Information and Network Science, Chiba Institute of Technology

• ODAI Kei

  Department of Electronics and Informatics, North Shore College

• Kikuchi H

  Department Of Rhysics Nippon Ika University

• Odai K

  North Shore Coll. Atsugi

• Odai Kei

  Department Of Electronics And Informatics North Shore College

• Kikuchi Hiroto

  Departments Of Applied Bioscience Hokkaido University

• Kikuchi Hiroto

  Department Of Physics Nippon Ika University

• Suzuki Hideo

  Department Of Cardiology Surugadai Nihon University Hospital

• Suzuki Hideo

  Department Of Physics School Of Science And Engineering Waseda University

• Suzuki Hideo

  Department of Physics, School of Science and Engineering, Waseda University

• Suzuki Hideo

  Department of Bioscience Research, Tsukuba Research Laboratory, Toagosei Co., Ltd.

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