B-spline solver for one-electron Schrödinger equation

Molecular Physics

Volumn 109, Issue 22, 2011, Pages 2679-2691

  Romanowski, Zbigniew ^a  

^a UNIVERSITY OF WARSAW   (Poland)

Author keywords

B splines; finite element method; generalized eigenvalue problem; one electron Schrdinger equation; parallel algorithms

Indexed keywords

B SPLINES; B-SPLINE; BASIS FUNCTIONS; DIFFERENTIABLE FUNCTIONS; DINGER EQUATION; DISTRIBUTED MEMORY; FINITE ELEMENT; FINITE SUBSPACES; GENERALIZED EIGENVALUE PROBLEM; GENERALIZED EIGENVALUE PROBLEMS; HIGHER ORDER; INTERACTION POTENTIALS; KOHN SHAM EQUATIONS; MOLECULAR SYSTEMS; NUMERICAL ALGORITHMS; PARALLEL COMPUTER; PROCESSING UNITS; PSEUDOPOTENTIALS; SCHRDINGER EQUATIONS; TENSOR PRODUCTS; UNIVARIATE;

EIGENVALUES AND EIGENFUNCTIONS; FINITE ELEMENT METHOD; INTERPOLATION; PARALLEL ALGORITHMS; SHIP PROPELLERS;

ALGORITHMS;

EID: 84856896784     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2011.631055     Document Type: Article

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