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Systematic study of the embedding potential description in the fragment molecular orbital method

Dmitri G Fedorov1, Lyudmila V Slipchenko, Kazuo Kitaura

  • 1Research Institute for Computational Sciences (RICS), National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. d.g.fedorov@aist.go.jp

The Journal of Physical Chemistry. A
|May 6, 2010
PubMed

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