Approximately spin-projected Hessian for broken symmetry method and stretching frequencies of F2 and singlet O2
Article first published online: 27 AUG 2009
Copyright © 2009 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 109, Issue 15, pages 3641–3648, December 2009
How to Cite
Kitagawa, Y., Saito, T., Nakanishi, Y., Kataoka, Y., Shoji, M., Koizumi, K., Kawakami, T., Okumura, M. and Yamaguchi, K. (2009), Approximately spin-projected Hessian for broken symmetry method and stretching frequencies of F2 and singlet O2. Int. J. Quantum Chem., 109: 3641–3648. doi: 10.1002/qua.22407
- Issue published online: 25 SEP 2009
- Article first published online: 27 AUG 2009
- Manuscript Accepted: 29 JUN 2009
- Manuscript Received: 30 APR 2009
- Grants-in-Aid for Scientific Research (KAKENHI) [Japan Society for the Promotion of Science (JSPS)]. Grant Numbers: 19750046, 19350070, 18350008
- Priority Areas [Ministry of Education, Culture, Sports, Science and Technology (MEXT)]. Grant Number: 19029028
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