Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 372, Issue 30, 2008, Pages 5071-5076

  Zhang, Dier ^a   Shen, Lihua ^b   Zhou, Aihui ^b   Gong, Xin Gao ^a  

^a FUDAN UNIVERSITY   (China)

^b INSTITUTE OF COMPUTATIONAL MATHEMATICS AND SCIENTIFIC ENGINEERING COMPUTING   (China)

Author keywords

Electronic structure calculations; Finite element method

Indexed keywords

COMPUTATIONAL EFFICIENCY; ELECTRONIC STRUCTURE; HAMILTONIANS; MESH GENERATION;

ADAPTIVE MESH REFINEMENT; ADAPTIVE TETRAHEDRAL MESH; COMPUTATIONAL ACCURACY; DENSITY FUNCTIONALS; ELECTRONIC STRUCTURE CALCULATIONS; PARALLEL IMPLEMENTATIONS; PIECEWISE POLYNOMIALS; STRUCTURED MATRIXES;

FINITE ELEMENT METHOD;

EID: 46449110196     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2008.05.075     Document Type: Article

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