Calculation of the zero-field splitting tensor on the basis of hybrid density functional and Hartree-Fock theory

Journal of Chemical Physics

Volumn 127, Issue 16, 2007, Pages

  Neese, Frank ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; GROUND STATE; HAMILTONIANS; PERTURBATION TECHNIQUES;

ANALYTIC DERIVATIVE THEORY; FUNCTIONALS; HARTREE-FOCK THEORY; SPIN-ORBIT COUPLING (SOC);

TENSORS;

EID: 36048959496     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2772857     Document Type: Article

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