Perturbative treatment of spin-orbit coupling within spin-free exact two-component theory

Journal of Chemical Physics

Volumn 141, Issue 16, 2014, Pages

  Cheng, Lan ^a   Gauss, Jürgen ^b  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONS; MOLECULES; NUMERICAL METHODS; SPIN ORBIT COUPLING; COMPUTATION THEORY; FINITE DIFFERENCE METHOD; HAMILTONIANS;

BENCHMARK CALCULATIONS; CHEMICAL APPLICATIONS; COUPLED-CLUSTER CALCULATIONS; DIATOMIC MOLECULES; HARTREE-FOCK LEVELS; MEAN FIELD APPROACH; PERTURBATIVE TREATMENT; QUADRUPOLE COUPLING; COMPONENT THEORIES; COUPLING CORRECTIONS; COUPLING INTEGRALS; COUPLING MATRIX; ELECTRON SPIN ORBIT COUPLINGS; SECOND ORDERS; SPIN-ORBIT COUPLING EFFECTS; SPIN-ORBIT COUPLINGS; TWO-COMPONENT;

COMPUTATION THEORY; MOLECULES;

EID: 84908228285     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4897254     Document Type: Article

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