Resolution of identity Dirac-Kohn-Sham method using the large component only: Calculations of g -tensor and hyperfine tensor

Journal of Chemical Physics

Volumn 124, Issue 8, 2006, Pages

  Komorovský, Stanislav ^a   Repiský, Michal ^a   Malkina, Olga L ^a   Malkin, Vladimir G ^a   Malkin, Irina ^b   Kaupp, Martin ^b  

^a INSTITUTE OF CHEMISTRY   (Slovakia)

^b UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; HAMILTONIANS; MATHEMATICAL OPERATORS; MERCURY (METAL); OPTICAL RESOLVING POWER; TENSORS;

DIRAC-KOHN-SHAM METHOD; EXCHANGE-CORRELATION OPERATORS; RESOLUTION OF IDENTITY (RI);

PROBABILITY DENSITY FUNCTION;

EID: 33644609782     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2173995     Document Type: Article

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