On the existence of a natural common gauge-origin for the calculation of magnetic properties of atoms and molecules via gaugeless basis sets

Journal of Chemical Physics

Volumn 136, Issue 16, 2012, Pages

  Pelloni, Stefano ^a   Lazzeretti, Paolo ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AVERAGE VALUES; BASIS SETS; CO-ORDINATE TRANSFORMATION; CONVENTIONAL APPROACH; ELECTRONIC CHARGES; EXTERNAL MAGNETIC FIELD; GROUP-THEORETICAL METHODS; LOCAL SYMMETRY; MAGNETIZABILITIES; MOLECULAR SYMMETRY; NUCLEAR SITES; PARAMAGNETIC CONTRIBUTION; POINT GROUP SYMMETRY; SHIELDING TENSORS; TOTAL VALUES;

MAGNETIC FIELDS; MAGNETIC PROPERTIES; MAGNETIC SHIELDING; MOLECULAR MECHANICS; MOLECULES; PARAMAGNETISM; TENSORS;

GAGES;

EID: 84860485819     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4705281     Document Type: Article

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