Presentation Information
[2P-54]Post DFT Computations of Strongly Correlated Electron Systems: 3d Transition-Metal Oxide Clusters for Water Oxidation
*Kizashi Yamaguchi1,5,6, Koichi Miyagawa2,6, Mitsuo Shoji2, Hiroshi Isobe3, Takashi Kawakami4,5, Takahito Nakajima5 (1. Center for Quantum Information and Quantum Biology, Osaka University (Japan), 2. Center for Computational Sciences, University of Tsukuba (Japan), 3. Research Institute for Interdisciplinary Science, Okayama University (Japan), 4. Department of Chemistry, Osaka University (Japan), 5. RIKEN Center for Computational Science (Japan), 6. SANKEN, Osaka University (Japan))
Keywords:
Strongly Correlated Electron Systems,Broken Symmetry,Coupled Cluster,Water Oxidation