Effective electronic Hamiltonian for quantum subsystem in hybrid QM/MM methods as derived from APSLG description of electronic structure of classical part of molecular system

Journal of Molecular Structure: THEOCHEM

Volumn 506, Issue 1-3, 2000, Pages 17-34

  Tokmachev, A M ^a   Tchougreeff A L ^a   Misurkin, I A ^a  

^a KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

Author keywords

Electronic Hamiltonian; Quantum subsystem; Semi empirical method

Indexed keywords

CHEMICAL BOND; CONFERENCE PAPER; ELECTRON; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; QUANTUM MECHANICS;

EID: 0342758594     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(00)00399-7     Document Type: Conference Paper

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