A natural orbital analysis of the long range behavior of chemical bonding and van der Waals interaction in singlet H2: the issue of zero natural orbital occupation numbers
Sheng, X W, Mentel, Ł M, Gritsenko, O V, Baerends, E J
Published in The Journal of chemical physics (28.04.2013)
Published in The Journal of chemical physics (28.04.2013)
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