...Head-Gordon

According to an E-mail message of W. Koch [kochw@argon.chem.TU-Berlin.DE, Message-Id: <9505170906.AA28372@argon.chem.TU-Berlin.DE>, May 17, 1995] in the Computational Chemistry List.

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...molecules

Programm namd, University of Illinois, http://www.ks.uiuc.edu:1250/Research/namd/.

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...LCAO

Linear Combination of Atomic Orbitals

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