Efficient multipole model and linear scaling of NDDO-based methods

Journal of Physical Chemistry A

Volumn 109, Issue 33, 2005, Pages 7613-7620

  Tokmachev, A M ^a   Tchougreeff A L ^a  

^a KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; MATHEMATICAL MODELS; MATHEMATICAL TRANSFORMATIONS; QUANTUM THEORY;

MODIFIED NEGLECT OF DIATOMIC OVERALP (MNDO); MOLECULAR INTERACTIONS; POLYATOMIC MOLECULAR SYSTEM; SELF-CONSISTENT FIELD (SCF);

MOLECULAR STRUCTURE;

EID: 24944437094     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp051827o     Document Type: Article

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