Augmented Gaussian basis sets of double and triple zeta valence qualities for the atoms K and Sc-Kr: Applications in HF, MP2, and DFT calculations of molecular electric properties

Journal of Molecular Structure: THEOCHEM

Volumn 910, Issue 1-3, 2009, Pages 122-125

  Camiletti, G G ^a   Canal Neto, A ^a   Jorge, F E ^a   Machado, S F ^a  

^a FEDERAL UNIVERSITY OF ESPÍRITO SANTO   (Brazil)

Author keywords

Augmented Gaussian basis sets; Electric properties; HF, MP2, DFT approaches; K and Sc Kr elements

Indexed keywords

EID: 68049137305     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.06.024     Document Type: Article

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