A sequential transformation approach to the internally contracted multireference coupled cluster method

Journal of Chemical Physics

Volumn 136, Issue 20, 2012, Pages

  Evangelista, Francesco A ^a,b   Hanauer, Matthias ^b   Köhn, Andreas ^b   Gauss, Jürgen ^b  

^a YALE UNIVERSITY   (United States)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COUPLED CLUSTERS; COUPLED-CLUSTER METHODS; DISSOCIATION CURVES; FORMAL PROOFS; FULL CONFIGURATION INTERACTION; HARMONIC VIBRATIONAL FREQUENCIES; MULTI REFERENCE; POTENTIAL ENERGY CURVES; REFERENCE FUNCTIONS; SINGLE EXCITATION; SINGLET-TRIPLET SPLITTING;

DISSOCIATION; NUMERICAL METHODS; OZONE; WAVE FUNCTIONS;

HAMILTONIANS;

EID: 84862546174     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4718704     Document Type: Article

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