Flexible nuclear screening approximation to the two-electron spin-orbit coupling based on ab initio parameterization

Journal of Chemical Physics

Volumn 139, Issue 20, 2013, Pages

  Chalupský, Jakub ^a   Yanai, Takeshi ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS FUNCTIONS; BASIS SETS; GAUSSIAN BASIS SETS; MATRIX ELEMENTS; NUCLEAR CHARGES; RELATIVISTIC THEORY; SPIN ORBITS; SPIN-ORBIT COUPLINGS;

CALCULATIONS; MAGNETIC MOMENTS; SPIN DYNAMICS;

ELECTRONS;

EID: 84903364060     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4832737     Document Type: Article

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