Development of Monte Carlo configuration interaction: Natural orbitals and second-order perturbation theory

Journal of Chemical Physics

Volumn 137, Issue 20, 2012, Pages

  Coe, J P ^a   Paterson, M J ^a  

^a HERIOT WATT UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION INTERACTIONS; CONFIGURATION STATE FUNCTIONS; DOUBLE SUBSTITUTION; FULL CONFIGURATION INTERACTION; HYDROGEN DISSOCIATION; IMPROVE-A; MOLLER-PLESSET PERTURBATION THEORIES; MONTE CARLO; NATURAL ORBITALS; NITROGEN MOLECULE; POTENTIAL CURVES; SECOND ORDER PERTURBATION THEORY; SECOND ORDERS; SINGLE-POINT ENERGY; SLATER DETERMINANTS;

CARBON MONOXIDE; DISSOCIATION; HYDROGEN; MONTE CARLO METHODS;

ORBITAL CALCULATIONS;

EID: 84870532593     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4767436     Document Type: Article

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