Accurate ab initio potential energy curve of O2. I. Nonrelativistic full configuration interaction valence correlation by the correlation energy extrapolation by intrinsic scaling method

Journal of Chemical Physics

Volumn 132, Issue 7, 2010, Pages

  Bytautas, Laimutis ^a   Ruedenberg, Klaus ^a  

^a IOWA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO POTENTIAL ENERGY CURVES; BASIS SETS; COMPLETE BASIS SET LIMIT; CORRELATION ENERGY; DUNNING'S CORRELATION; EQUILIBRIUM DISTANCES; FULL CONFIGURATION INTERACTION; INTERNUCLEAR DISTANCES; NONRELATIVISTIC; NONRELATIVISTIC ELECTRONS; POTENTIAL ENERGY CURVES; REACTION PATHS; REFERENCE FUNCTIONS; SCALING METHOD; VALENCE SHELLS;

APPROXIMATION THEORY; ELECTRON ENERGY LEVELS; EXTRAPOLATION; POTENTIAL ENERGY;

CORRELATION METHODS;

EID: 77149148133     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3298373     Document Type: Article

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