New integral transforms for molecular properties and application to a massively parallel GIAO-SCF implementation

Computer Physics Communications

Volumn 134, Issue 2, 2001, Pages 150-166

  Dupuis, M ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRIC PROPERTIES; ELECTRONIC STRUCTURE; FUNCTIONS; INTEGRATION; MAGNETIC FIELDS; MAGNETIC PROPERTIES; MATHEMATICAL TRANSFORMATIONS; MATRIX ALGEBRA;

DERIVATIVE HARTREE-FOCK METHOD (DHF); GAUGE INVARIANT ATOMIC ORBITAL (GIAO) METHOD; GAUSSIAN INTEGRAL TRANSFORMS; RYS QUADRATURE;

MOLECULAR PHYSICS;

EID: 0035252255     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(00)00195-8     Document Type: Article

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