Fast NDDO method for molecular structure calculations based on strictly localized geminals

Journal of Physical Chemistry A

Volumn 107, Issue 3, 2003, Pages 358-365

  Tokmachev, Andrei M ^a,b   Tchougréeff, Andrei L ^a,b  

^a KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

^b KELDYSH INSTITUTE OF APPLIED MATHEMATICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; VARIATIONAL TECHNIQUES;

ANTISYMMETRIZED PRODUCT OF STRICTLY LOCALIZED GEMINALS; AUSTIN METHOD; MODIFIED NEGLECT OF DIATOMIC OVERLAP; NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP; SELF CONSISTENT FIELD; THIRD PARAMETRIC METHOD;

ORGANIC COMPOUNDS;

EID: 0037461626     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0265034     Document Type: Article

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