Spin-orbit density functional and ab initio study of HgXn(X=F, Cl, Br, and I; N=1, 2, and 4)

Journal of Chemical Physics

Volumn 133, Issue 14, 2010, Pages

  Kim, Joonghan ^a   Ihee, Hyotcherl ^a   Lee, Yoon Sup ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; AB INITIO STUDY; DENSITY FUNCTIONALS; FUNCTIONALS; GASPHASE; MOLECULAR GEOMETRIES; MOLECULAR PROPERTIES; QUANTUM CHEMICAL CALCULATIONS; RELATIVISTIC EFFECTIVE CORE POTENTIALS; SPIN ORBITS; TWO-COMPONENT; VIBRATIONAL FREQUENCIES;

MOLECULAR STRUCTURE; QUANTUM CHEMISTRY;

DENSITY FUNCTIONAL THEORY;

EID: 77958106372     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3497189     Document Type: Article

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