Metal and ligand hyperfine couplings in transition metal complexes: The effect of spin-orbit coupling as studied by coupled perturbed Kohn-Sham theory

Journal of Chemical Physics

Volumn 118, Issue 9, 2003, Pages 3939-3948

  Neese, Frank ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

FERMI LEVEL; HAMILTONIANS; NUMERICAL ANALYSIS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; TENSORS; TRANSITION METAL COMPOUNDS;

HYPERFINE COUPLINGS; KOHN-SHAM THEORY; SPIN ORBIT COUPLING; TRANSITION METAL COMPLEXES;

MOLECULAR PHYSICS;

EID: 0037336916     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1540619     Document Type: Article

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