Efficient real-space solution of the Kohn-Sham equations with multiscale techniques

Journal of Chemical Physics

Volumn 112, Issue 21, 2000, Pages 9223-9228

  Wang, Jian ^a   Beck, Thomas L ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CINCINNATI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; BOUNDARY CONDITIONS; CONVERGENCE OF NUMERICAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; FINITE DIFFERENCE METHOD; GROUND STATE; INTEGRAL EQUATIONS; INTERPOLATION; ITERATIVE METHODS; LAPLACE TRANSFORMS; MATRIX ALGEBRA;

GROUND STATE ELECTRON DISTRIBUTION; KOHN-SHAM EQUATIONS; MULTIGRID ALGORITHMS; POISSON EQUATION;

ELECTRONIC STRUCTURE;

EID: 0033705706     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481543     Document Type: Article

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