Resonating broken symmetry CI approach for ion-radical systems: Comparison with UHF, hybrid-DFT, and CASSCF-DFT
Article first published online: 10 SEP 2008
Copyright © 2008 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Proceedings of the International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology, and Pharmacology
Volume 108, Issue 15, pages 2966–2977, 2008
How to Cite
Nishihara, S., Yamanaka, S., Ukai, T., Nakata, K., Kusakabe, K., Yonezawa, Y., Nakamura, H., Takada, T. and Yamaguchi, K. (2008), Resonating broken symmetry CI approach for ion-radical systems: Comparison with UHF, hybrid-DFT, and CASSCF-DFT. Int. J. Quantum Chem., 108: 2966–2977. doi: 10.1002/qua.21891
- Issue published online: 23 SEP 2008
- Article first published online: 10 SEP 2008
- Manuscript Accepted: 18 JUL 2008
- Manuscript Received: 1 MAY 2008
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