Gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach. II. Density functional and coupled cluster theory

Journal of Chemical Physics

Volumn 126, Issue 15, 2007, Pages

  Ligabue, Andrea ^a   Sauer, Stephan P A ^b   Lazzeretti, Paolo ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CURRENT DENSITY; DENSITY FUNCTIONAL THEORY; MAGNETIC FIELDS;

CONTINUOUS TRANSFORMATION; COUPLED CLUSTER THEORY; ELECTRON CORRELATION;

MAGNETIC SHIELDING;

EID: 34247372259     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2721536     Document Type: Article

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