Derivation of spin-orbit couplings in collinear linear-response TDDFT: A rigorous formulation

Journal of Chemical Physics

Volumn 140, Issue 14, 2014, Pages

  Franco De Carvalho, Felipe ^a   Curchod, Basile F E ^a   Penfold, Thomas J ^b   Tavernelli, Ivano ^a  

^a EPFL   (Switzerland)

^b PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

PHYSICAL CHEMISTRY; PHYSICS;

ALTERNATIVE SOLUTIONS; BENCHMARK CALCULATIONS; NON-COLLINEARITY; SINGLET AND TRIPLET STATE; SPIN FLIP TRANSITIONS; SPIN-ORBIT COUPLINGS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; WAVE FUNCTION METHOD;

ACETONE;

EID: 84898961953     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4870010     Document Type: Article

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