Calculation of current densities using gauge-including atomic orbitals

Journal of Chemical Physics

Volumn 121, Issue 9, 2004, Pages 3952-3963

  Jusélius, Jonas ^a   Sundholm, Dage ^a   Gauss, Jürgen ^b  

^a UNIVERSITY OF HELSINKI   (Finland)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CARBON DIOXIDE; CARRIER CONCENTRATION; CURRENT DENSITY; DIFFERENTIAL EQUATIONS; FUNCTIONS; HAMILTONIANS; INTEGRATION; LEAKAGE CURRENTS; MAGNETIC FIELD EFFECTS; PERTURBATION TECHNIQUES; PROBLEM SOLVING; TENSORS; VECTORS;

CONTINUOUS TRANSFORMATION OF CURRENT-DENSITY (CTOCD); GAUGE-INCLUDING ATOMIC ORBITALS (GIAO); HARTREE-FOCK SELF CONSISTENT-FIELD (HF-SCF); MOLECULAR ELECTRON DENSITIES;

QUANTUM THEORY;

EID: 4644343957     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1773136     Document Type: Article

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