Numerical solution of the kohn-sham equation by finite element methods with an adaptive mesh redistribution technique

Journal of Scientific Computing

Volumn 55, Issue 2, 2013, Pages 372-391

  Bao, Gang ^a,b   Hu, Guanghui ^b   Liu, Di ^b  

^a ZHEJIANG UNIVERSITY   (China)

^b MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

Adaptive mesh redistribution; Density functional theory; Finite element method; Harmonic map; Kohn Sham equation

Indexed keywords

AUTOMOBILE RADIATORS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; EIGENVALUES AND EIGENFUNCTIONS; ITERATIVE METHODS; MESH GENERATION; NUMERICAL METHODS;

ACCURATE NUMERICAL RESULTS; ADAPTIVE MESHES; GENERALIZED EIGENVALUE PROBLEMS; HARMONIC MAP; KOHN SHAM EQUATIONS; LINEAR FINITE ELEMENTS; SELF-CONSISTENT-FIELD ITERATIONS; SPATIAL DISCRETIZATIONS;

FINITE ELEMENT METHOD;

EID: 84893643414     PISSN: 08857474     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10915-012-9636-1     Document Type: Article

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