An efficient algorithm for complete active space valence bond self-consistent field calculation
Version of Record online: 7 SEP 2012
Copyright © 2012 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 34, Issue 1, pages 38–48, 5 January 2013
How to Cite
Song, J., Chen, Z., Shaik, S. and Wu, W. (2013), An efficient algorithm for complete active space valence bond self-consistent field calculation. J. Comput. Chem., 34: 38–48. doi: 10.1002/jcc.23103
- Issue online: 23 NOV 2012
- Version of Record online: 7 SEP 2012
- Manuscript Accepted: 7 AUG 2012
- Manuscript Revised: 1 AUG 2012
- Manuscript Received: 2 JUN 2012
- Ministry of Science and Technology of China. Grant Number: 2011CB808504
- The Natural Science Foundation of China. Grant Number: 21120102035
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