Explicitly correlated multireference configuration interaction: MRCI-F12

Journal of Chemical Physics

Volumn 134, Issue 3, 2011, Pages

  Shiozaki, Toru ^a   Knizia, Gerald ^a   Werner, Hans Joachim ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; COMPLETE BASIS SETS; COMPUTATIONAL COSTS; COMPUTATIONALLY EFFICIENT; COUPLED PAIR FUNCTIONAL; DIATOMIC MOLECULES; DISSOCIATION ENERGIES; EXOTHERMICITY; EXPERIMENTAL DATA; MULTI REFERENCE; MULTI REFERENCE CONFIGURATION INTERACTIONS; QUANTITATIVE AGREEMENT; REACTION BARRIERS; SET CONVERGENCE; SIDE PRODUCTS; SINGLET-TRIPLET;

GROUND STATE; OZONE;

BAND STRUCTURE;

FLUORIDE; HYDROGEN; OZONE;

ARTICLE; CHEMISTRY; ELECTRON; QUANTUM THEORY;

ELECTRONS; FLUORIDES; HYDROGEN; OZONE; QUANTUM THEORY;

EID: 79551634094     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3528720     Document Type: Article

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