Towards the intrinsic error of the correlation consistent Composite Approach (ccCA)

Molecular Physics

Volumn 107, Issue 8-12, 2009, Pages 1107-1121

  Deyonker, Nathan J ^a   Wilson, Brent R ^a   Pierpont, Aaron W ^a   Cundari, Thomas R ^a   Wilson, Angela K ^a  

^a UNIVERSITY OF NORTH TEXAS   (United States)

Author keywords

CcCA; Composite methods; Correlation consistent; Model chemistries; Thermochemistry

Indexed keywords

BASIS SETS; CCCA; COMPLETE BASIS SET LIMIT; COMPOSITE METHODS; COMPUTATIONAL REQUIREMENTS; CORRELATION CONSISTENT; CORRELATION CONSISTENT BASIS SETS; DISSOCIATION ENERGIES; ENERGETIC PROPERTIES; ENTHALPIES OF FORMATION; EQUILIBRIUM GEOMETRIES; HARMONIC VIBRATIONAL FREQUENCIES; HARTREE-FOCK; MEAN ABSOLUTE DEVIATIONS; MODEL CHEMISTRIES; MODEL CHEMISTRY; OPEN-SHELL; OPTIMIZED PARAMETER; PROTON AFFINITY; SCALE FACTOR; SI ATOMS; STATISTICAL BIAS; TEST SETS; TRAINING SETS;

ENTHALPY; IONIZATION POTENTIAL; KRYPTON; THERMOCHEMISTRY; WAVE FUNCTIONS;

CORRELATION METHODS;

EID: 67650714357     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970902744359     Document Type: Article

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