Exact two-component relativistic energy band theory and application

Journal of Chemical Physics

Volumn 144, Issue 4, 2016, Pages

  Zhao, Rundong ^a   Zhang, Yong ^a   Xiao, Yunlong ^a   Liu, Wenjian ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHEMICAL ELEMENTS; ELECTRIC FIELDS; ENERGY GAP; LATTICE CONSTANTS;

COHESIVE ENERGIES; LOCAL BASIS FUNCTIONS; MOLECULAR CALCULATIONS; PERIODIC CALCULATIONS; PILOT APPLICATIONS; RELATIVISTIC CALCULATIONS; RELATIVISTIC DENSITY FUNCTIONAL THEORY; RELATIVISTIC ENERGY;

DENSITY FUNCTIONAL THEORY;

EID: 84956980566     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4940140     Document Type: Article

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