Fast iterative interior eigensolver for millions of atoms

Journal of Computational Physics

Volumn 231, Issue 14, 2012, Pages 4836-4847

  Jordan, Gerald ^a   Marsman, Martijn ^a   Kim, Yoon Suk ^a   Kresse, Georg ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

Davidson method; Electronic structure calculations; Harmonic ritz values; Interior eigenvalue problem

Indexed keywords

ALUMINUM ARSENIDE; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STATES; ELECTRONIC STRUCTURE; GALLIUM ARSENIDE; HARMONIC ANALYSIS; INDIUM ARSENIDE; ITERATIVE METHODS; SEMICONDUCTOR QUANTUM DOTS;

A-PLANE; DAVIDSON; DAVIDSON METHOD; EIGENSOLVERS; ELECTRONIC STRUCTURE CALCULATIONS; GENERALIZED DAVIDSON METHOD; HARMONIC RITZ VALUE; INTERIOR EIGENVALUE PROBLEMS; PLANE WAVE BASIS; RITZ VALUES;

III-V SEMICONDUCTORS;

EID: 84861227547     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2012.04.010     Document Type: Article

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