Benchmarks of improved complete basis set extrapolation schemes designed for standard CCSD(T) atomization energies

Journal of Chemical Physics

Volumn 138, Issue 7, 2013, Pages

  Feller, David ^a  

^a WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; BASIS SETS; BASIS-SET LIMITS; CCSD; CHEMICAL SYSTEMS; COMPLETE BASIS SET LIMIT; COMPLETE BASIS SETS; COMPUTER TIME; COUPLED-CLUSTER SINGLES; ERROR METRICS; EXTRAPOLATION SCHEMES; REFERENCE SET; SIMPLE MODIFICATIONS; SUBSTANTIAL REDUCTION; ZETA QUALITY;

ATOMIZATION;

EXTRAPOLATION;

EID: 84874522072     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4791560     Document Type: Article

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