Gradients for two-component quasirelativistic methods. Application to dihalogenides of element 116

Journal of Chemical Physics

Volumn 126, Issue 11, 2007, Pages

  Van Wüllen, Christoph ^a   Langermann, Norbert ^a  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; DENSITY FUNCTIONAL THEORY; HAMILTONIANS; MOLECULAR PHYSICS;

DIHALOGENIDES; EXCHANGE-CORRELATION ENERGY; SPIN DENSITY; SPIN-ORBIT COUPLING;

GRADIENT METHODS;

EID: 34047164618     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2711197     Document Type: Article

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