Recursion method for electronic structure calculations

Computer Physics Communications

Volumn 158, Issue 1, 2004, Pages 39-46

  Lorin, E ^a,b   Zerah G ^b  

^a UNIVERSITY OF MINNESOTA   (United States)

^b CEA DAM DIF   (France)

Author keywords

Density functional theory; Lanczos; Planewave method; Trotter formula

Indexed keywords

APPROXIMATION THEORY; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC DENSITY OF STATES; FERMIONS; FREE ENERGY; GREEN'S FUNCTION; HAMILTONIANS; HIGH TEMPERATURE EFFECTS; HYDROGEN; ITERATIVE METHODS; MATHEMATICAL OPERATORS;

DENSITY FUNCTIONAL THEORY; LANCZOS; PLANEWAVE METHOD; TROTTER FORMULA;

ELECTRONIC STRUCTURE;

EID: 1142280214     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comphy.2003.12.002     Document Type: Article

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