Segmented contracted basis sets for one- and two-component Dirac-Fock effective core potentials

Journal of Chemical Physics

Volumn 133, Issue 17, 2010, Pages

  Weigend, Florian ^a   Baldes, Alexander ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BASIS-SET LIMITS; CHEMICAL APPLICATIONS; EFFECTIVE CORE POTENTIAL; SELF-CONSISTENT FIELD; SPIN-ORBIT COUPLINGS; TWO-COMPONENT;

CHEMICAL COMPOUNDS; DENSITY FUNCTIONAL THEORY;

OPTIMIZATION;

EID: 78650641336     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3495681     Document Type: Article

References (29)

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