Analytic derivative calculation of electronic g-tensors based on multireference configuration interaction wavefunctions

Molecular Physics

Volumn 105, Issue 19-22, 2007, Pages 2507-2514

  Neese, Frank ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Analytic derivatives; EPR; G Tensor; Linear response; MRCI

Indexed keywords

COMPUTER PROGRAMMING; CORRELATION METHODS; MAGNETOELECTRONICS; TENSORS;

ANALYTIC DERIVATIVE CALCULATIONS; MAGNETIC RESPONSE PROPERTIES; MULTIREFERENCE CONFIGURATION INTERACTION WAVEFUNCTIONS; ORBITAL RELAXATION;

WAVE FUNCTIONS;

EID: 38849178916     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970701549389     Document Type: Article

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