Fuming Ying, Peifeng Su, Zhenhua Chen, Sason Shaik and Wei Wu
DFVB: A Density-Functional-Based Valence Bond Method
J. Chem. Theory Comput., 2012, 8, 1608-1615.
http://pubs.acs.org/doi/abs/10.1021/ct200803h
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