On the efficiency of VBSCF algorithms, a
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J. H. van Lenthe; H. B. Broer-Braam; Z. Rashid
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Article
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2012
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John Wiley and Sons
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English
⚖ 726 KB
## Abstract We comment on the paper [Song et al., J. Comput. Chem. 2009, 30, 399]. and discuss the efficiency of the orbital optimization and gradient evaluation in the Valence Bond Self Consistent Field (VBSCF) method. We note that Song et al. neglect to properly reference Broer et al., who publis