Benchmark theoretical study on the dissociation energy of chlorine

Journal of Physical Chemistry A

Volumn 115, Issue 26, 2011, Pages 7765-7772

  Csontos, József ^a   Kállay, Mihály ^a  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BORN-OPPENHEIMER APPROXIMATION; COMPOSITE MODELS; CORE ELECTRONS; CORRELATION ENERGY; COUPLED-CLUSTER SINGLES AND DOUBLES; CURRENT MODELS; DISSOCIATION ENERGIES; ERROR SOURCES; HARTREE-FOCK ENERGIES; HIGH-ACCURACY; MODEL CHEMISTRY; NONRELATIVISTIC; PENTUPLE EXCITATIONS; QUADRUPLE EXCITATIONS; RELATIVISTIC EFFECTS; THEORETICAL APPROACH; THEORETICAL MODELS; THEORETICAL STUDY; VALENCE ELECTRON; YIELD VALUE;

APPROXIMATION THEORY; NUMERICAL METHODS;

CHLORINE;

EID: 79959774795     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2020879     Document Type: Article

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