First-order relativistic corrections to MP2 energy from standard gradient codes: Comparison with results from density functional theory

Journal of Computational Chemistry

Volumn 19, Issue 14, 1998, Pages 1596-1603

  Franke, Robert ^a   Van Wüllen, Christoph ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

Density functional theory; Direct perturbation theory; MP2 gradients; Nonadditivity of relativity and correlation; Relativistic effects

Indexed keywords

EID: 0000936854     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19981115)19:14<1596::AID-JCC5>3.0.CO;2-E     Document Type: Article

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