Some considerations about gaussian basis sets for electric property calculations

International Journal of Quantum Chemistry

Volumn 109, Issue 6, 2009, Pages 1189-1199

  Arruda, Priscilla M ^a   Neto, A Canal ^a   Jorge, F E ^a  

^a FEDERAL UNIVERSITY OF ESPÍRITO SANTO   (Brazil)

Author keywords

AQZP and AQZP1 basis sets; Electric properties; H Ar; HF and DFT methods

Indexed keywords

AQZP AND AQZP1 BASIS SETS; BASIS SETS; DIFFUSE FUNCTIONS; EXPERIMENTAL DATA; GAUSSIAN BASIS SETS; GROUND-STATE ENERGIES; H-AR; HF AND DFT METHODS; MEAN DIPOLE POLARIZABILITY; POLARIZABILITIES; POLARIZATION FUNCTIONS; STATIC POLARIZABILITY;

ELECTRIC DIPOLE MOMENTS; ELECTRIC PROPERTIES; GROUND STATE; MOLECULAR ORBITALS; POLARIZATION; PROBABILITY DENSITY FUNCTION;

SET THEORY;

EID: 67049146263     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21934     Document Type: Article

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