Presentation Information
[2P-51]Relative stability and electronic structures in the S1 state of the CaMn4O5 cluster of the OEC of the PSII by DFT and CC calculations
*Koichi Miyagawa1, Mitsuo Shoji2, Takashi Kawakami3, Hiroshi Isobe4, Kizashi Yamaguchi1,3,5 (1. SANKEN, Osaka Univ. (Japan), 2. Center for Computational Sciences, Univ. of Tsukuba (Japan), 3. RIKEN Center for Computational Science (Japan), 4. Research Institute for Interdisciplinary Science, Okayama Univ. (Japan), 5. Center for Quantum Information and Quantum Biology, Osaka Univ. (Japan))
Keywords:
Photosystem II,OEC,DFT,Coupled Cluster