Spin component scaling in multiconfiguration perturbation theory

Journal of Physical Chemistry A

Volumn 115, Issue 4, 2011, Pages 523-534

  Szabados, Àgnes ^a   Nagy, Péter ^a  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

BOND DISSOCIATION; DECOMPOSITION SCHEME; ENERGY DIFFERENCES; ERROR REDUCTION; EXCITATION LEVELS; MOLECULAR GEOMETRIES; MULTI REFERENCE; MULTICONFIGURATION; MULTICONFIGURATION PERTURBATION THEORIES; MULTICONFIGURATION WAVE FUNCTIONS; PERTURBATION THEORY; POTENTIAL SURFACES; SCALING FACTORS; SECOND-ORDER CORRECTION; SECOND-ORDER ENERGIES; SPIN COMPONENTS; SPIN PATTERNS; STATIONARY CONDITIONS; TOTAL ENERGY;

DISSOCIATION;

PERTURBATION TECHNIQUES;

EID: 79851471448     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp108575a     Document Type: Article

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