Damped gradient iteration and multigrid relaxation: Tools for electronic structure calculations using orbital density-functionals

Journal of Computational Physics

Volumn 201, Issue 1, 2004, Pages 333-343

  Kümmel, Stephan ^a  

^a MAX PLANCK INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME   (Germany)

Author keywords

Density functional theory; Electronic structure calculations; Finite difference methods; Gradient iteration; Multigrid methods; Orbital functionals

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ITERATIVE METHODS;

DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL-THEORY; ELECTRONIC STRUCTURE CALCULATIONS; FINITE-DIFFERENCE METHODS; GRADIENT ITERATION; KOHN SHAM EQUATIONS; MULTIGRID METHODS; MULTIGRIDS; ORBITAL DENSITIES; ORBITAL FUNCTIONALS;

FINITE DIFFERENCE METHOD;

EID: 10944260329     PISSN: 00219991     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jcp.2004.05.018     Document Type: Article

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