Uniformly convergent n -tuple- augmented polarized (nZaP) basis sets for complete basis set extrapolations. I. Self-consistent field energies

Journal of Chemical Physics

Volumn 129, Issue 18, 2008, Pages

  Zhong, Shijun ^a,b   Barnes, Ericka C ^a   Petersson, George A ^a  

^a WESLEYAN UNIVERSITY   (United States)

^b UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSOLUTE ACCURACIES; BASIS SETS; CBS LIMITS; CHEMICAL ENERGIES; COMPLETE BASIS SETS; CORRELATION ENERGIES; LINEAR EXTRAPOLATIONS; PERIODIC TABLES; SCF ENERGIES; SELF-CONSISTENT FIELDS; SINGLE PARAMETERS; TEST SETS; TRUNCATION ERRORS; UNIFORMLY CONVERGENT;

CONTEXT SENSITIVE GRAMMARS; CURRENT VOLTAGE CHARACTERISTICS; ELECTRIC CIRCUIT BREAKERS; EXTRAPOLATION; MOLECULAR ORBITALS; XENON;

ERRORS;

EID: 56349164718     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3009651     Document Type: Article

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