Finite element approach for density functional theory calculations on locally-refined meshes

Journal of Computational Physics

Volumn 223, Issue 2, 2007, Pages 759-773

  Fattebert, J L ^a   Hornung, R D ^a   Wissink, A M ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

Composite mesh; Finite element method; Kohn Sham equations; Multigrid

Indexed keywords

APPLICATION PROGRAMS; DENSITY FUNCTIONAL THEORY; ITERATIVE METHODS; STEEPEST DESCENT METHOD;

COMPOSITE MESH; DENSITY-FUNCTIONAL THEORY CALCULATIONS; FINITE-ELEMENT APPROACH; KOHN SHAM EQUATIONS; MULTIGRIDS; NON-UNIFORM MESH; PARALLEL SOFTWARE; PRECONDITIONERS; QUADRATIC FINITE ELEMENTS; SOFTWARE INFRASTRUCTURE;

FINITE ELEMENT METHOD;

EID: 33947155839     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2006.10.013     Document Type: Article

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