A parallel multi-configuration self-consistent field algorithm

Molecular Physics

Volumn 105, Issue 23-24, 2007, Pages 2971-2976

  Fletcher, Gd ^a  

^a DARESBURY LABORATORY   (United Kingdom)

Author keywords

Distributed data; Quantum chemistry; Scalability

Indexed keywords

DATA REDUCTION; MOLECULAR PHYSICS; NEWTON-RAPHSON METHOD; PARAMETER ESTIMATION;

HESSIAN MATRIX; MOLECULAR ORBITAL; MULTI-CONFIGURATION SELF-CONSISTENT FIELD (MCSCF) ALGORITHM;

ALGORITHMS;

EID: 37549039116     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970701722234     Document Type: Article

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