Benchmarking quantum chemical methods for the calculation of molecular dipole moments and polarizabilities

Journal of Physical Chemistry A

Volumn 118, Issue 20, 2014, Pages 3678-3687

  Hickey, A Leif ^a   Rowley, Christopher N ^a  

^a MEMORIAL UNIVERSITY OF NEWFOUNDLAND   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ERRORS; LIGHT WEIGHT ROLLING STOCK; MOLECULAR PHYSICS; POLARIZATION; QUANTUM CHEMISTRY; WAVE FUNCTIONS;

COMPREHENSIVE EVALUATION; DENSITY FUNCTIONAL THEORY METHODS; ELECTROSTATIC POTENTIALS; HARTREE-FOCK THEORY; MOLECULAR DIPOLE MOMENT; POLARIZATION ANISOTROPY; QUANTUM-CHEMICAL METHODS; WAVE FUNCTION METHOD;

DIPOLE MOMENT;

EID: 84901257776     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp502475e     Document Type: Article

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