A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems

Journal of Chemical Physics

Volumn 121, Issue 6, 2004, Pages 2466-2470

  Yazyev, Oleg V ^a   Brothers, Edward N ^a   Kudin, Konstantin N ^a   Scuseria, Gustavo E ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BRILOUIN ZONE (BZ); DENSITY FUNCTIONAL THEORY (DFT); FERMI-DIRAC DISTRIBUTION; LINEAR TETRAHEDRON METHOD;

APPROXIMATION THEORY; BAND STRUCTURE; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; FERMI LEVEL; FREE ENERGY; FUNCTIONS; INTEGRATION; INTERPOLATION; PROBABILITY DENSITY FUNCTION;

TIME VARYING SYSTEMS;

EID: 4344561559     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1768165     Document Type: Article

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