Spin-adaptation and redundancy in state-specific multireference perturbation theory

Journal of Chemical Physics

Volumn 138, Issue 12, 2013, Pages

  Jeszenszki, Péter ^a   Surján, Péter R ^a   Szabados, Ágnes ^a  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITATION OPERATORS; MULTI REFERENCE; NEW APPROACHES; ORTHOGONALIZATION; PERTURBATION THEORY; SENSITIVITY-MATRIX; SINGULAR VALUES; VIRTUAL FUNCTIONS;

QUANTUM CHEMISTRY; REDUNDANCY;

PERTURBATION TECHNIQUES;

ARGON; CARBON DIOXIDE; WATER;

ARTICLE; CHEMISTRY; DIFFUSION; MOLECULAR DYNAMICS; QUANTUM THEORY;

ARGON; CARBON DIOXIDE; DIFFUSION; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; WATER;

EID: 84875783901     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4795436     Document Type: Article

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