Calculation of electronic g-tensors using a relativistic density functional Douglas-Kroll method

Journal of Physical Chemistry A

Volumn 106, Issue 19, 2002, Pages 5022-5030

  Neyman, Konstantin M ^a   Ganyushin, Dmitri I ^a   Matveev, Alexei V ^a   Nasluzov, Vladimir A ^b  

^a Institut für Physikalische und Theoretische Chemie   (Germany)

^b INSTITUTE OF CHEMISTRY AND CHEMICAL TECHNOLOGY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

KOHN-SHAM EQUATION; KRAMERS DOUBLET; RELATIVISTIC DENSITY FUNCTIONAL DOUGLAS-KROLL METHOD; SPIN-ORBIT EFFECTS; ZEEMAN ENERGY SPLITTING;

COMPUTATIONAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; GROUND STATE; HAMILTONIANS; MAGNETIC FIELD EFFECTS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; TENSORS;

PHYSICAL CHEMISTRY;

EID: 0037118402     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0204253     Document Type: Article

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