Unrestricted density functional theory based on the fragment molecular orbital method for the ground and excited state calculations of large systems
Nakata, Hiroya, Fedorov, Dmitri G., Yokojima, Satoshi, Kitaura, Kazuo, Sakurai, Minoru, Nakamura, ShinichiroТом:
140
Мова:
english
Журнал:
The Journal of Chemical Physics
DOI:
10.1063/1.4870261
Date:
April, 2014
Файл:
PDF, 1.45 MB
english, 2014
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