Analytical evaluation of first-order electrical properties based on the spin-free Dirac-Coulomb Hamiltonian

Journal of Chemical Physics

Volumn 134, Issue 24, 2011, Pages

  Cheng, Lan ^a   Gauss, Jürgen ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL EVALUATION; BENCHMARK CALCULATIONS; CLOSED SHELLS; COUPLED CLUSTERS; DENSITY MATRIX; FIRST-ORDER; HYDROGEN HALIDES; NEGATIVE-ENERGY STATE; NONRELATIVISTIC; NONRELATIVISTIC CALCULATIONS; ORBITAL RELAXATION; ORBITALS; PERTURBATION THEORY; RATE DETERMINING STEP; RELATIVISTIC EFFECTS; SPIN ORBITS;

BENCHMARKING; HAMILTONIANS; METHANE; PERTURBATION TECHNIQUES;

ELECTRIC PROPERTIES;

EID: 79960161618     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3601056     Document Type: Article

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