L102
Excited States and Electron Transfer Mechanism of the Photosynthetic Reaction Center:
SAC-CI Study
H. Nakatsuji,
J. Hasegawa,
and K. Ohkawa
Kyoto University
Recently, ab initio electronic structure theory has achieved chemical
accuracy even for large molecules and elucidations of biochemically
important phenomena by such method constitute a challenging frontier
of quantum chemistry. Here, the SAC-CI method has been applied to
the photosynthetic reaction center in order to give a definit assignment
of the excitation spectrum and to clarify the mechanism of the electron
transfer and the origin of its unidirectionality. This is by far the
highest-level calculation modern quantum chemistry can achieve.
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