A new parametrizable model of molecular electronic structure

Journal of Chemical Physics

Volumn 135, Issue 13, 2011, Pages

  Laikov, Dimitri N ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS FUNCTIONS; COMPUTATIONAL COSTS; COUPLED CLUSTERS; COUPLED-CLUSTER THEORY; DIPOLE POLARIZABILITIES; DIRECT LINKS; GROUND-STATE ENERGIES; INTERMOLECULAR POTENTIALS; MATRIX REPRESENTATION; MOLECULAR INTEGRALS; MOLECULAR SYSTEMS; ONE-ELECTRON DENSITY MATRIX; PARAMETRIZATIONS; POLARIZATION FUNCTIONS; SECOND ORDER PERTURBATION THEORY; SECOND ORDERS; SEMIEMPIRICAL MODELS; TRANSITION STATE; TWO-ELECTRON INTEGRALS; VARIATIONAL EQUATIONS; WEAKLY BOUND COMPLEXES;

CARRIER CONCENTRATION; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTRONS; MOLECULAR ELECTRONICS; NUMERICAL METHODS; POLARIZATION;

PERTURBATION TECHNIQUES;

EID: 80054698828     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3646498     Document Type: Article

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