Density functional based structure optimization for molecules containing heavy elements: Analytical energy gradients for the Douglas-Kroll-Hess scalar relativistic approach to the LCGTO-DF method

Chemical Physics

Volumn 210, Issue 3, 1996, Pages 413-425

  Nasluzov, Vladimir A ^a,b   Rösch, Notker ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b INSTITUTE OF CHEMISTRY AND CHEMICAL TECHNOLOGY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030489377     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(96)00137-1     Document Type: Article

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