Resonating broken symmetry CI approach for ion-radical systems: Comparison with UHF, hybrid-DFT, and CASSCF-DFT
- 作者S. Nishihara; S. Yamanaka; T. Ukai; K. Nakata; K. Kusakabe; Y. Yonezawa; H. Nakamura; T. Takada; K. Yamaguchi
- 卷第108卷
- 期第15期
- 印刷ISSN0020-7608
- 电子ISSN1097-461X
- 文件大小454.90KB
- 发表时间2008
- DOI10.1002/qua.21891
- 页码2966-2977
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