The employment of relativistic adapted Gaussian basis sets in Douglas-Kroll-Hess scalar calculations with diatomic molecules

Chemical Physics

Volumn 331, Issue 1, 2006, Pages 173-177

  Haiduke, Roberto L A ^a   Comar Jr , Moacyr ^a   da Silva, Albérico B F ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Adapted basis sets; Douglas Kroll Hess; Gaussian type orbitals; Relativistic effects; Relativistic scalar methods

Indexed keywords

EID: 37849188863     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.10.009     Document Type: Article

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