Analytic second derivatives of the energy in the fragment...

The Journal of Chemical Physics 2013 Vol. 138; Iss. 16

Analytic second derivatives of the energy in the fragment molecular orbital method

Nakata, Hiroya, Nagata, Takeshi, Fedorov, Dmitri G., Yokojima, Satoshi, Kitaura, Kazuo, Nakamura, Shinichiro
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Volume:
138
Year:
2013
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4800990
File:
PDF, 1.40 MB
english, 2013
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