Theory of large-scale matrix computation and applications in electronic structure calculation

Journal of Physics Condensed Matter

Volumn 20, Issue 29, 2008, Pages

  Fujiwara, T ^a,b   Hoshi, T ^b,c   Yamamoto, S ^b  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c TOTTORI UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITE STRUCTURES; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; ELECTRIC EXCITATION; ELECTRIC WIRE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTRONS; FRACTURE FIXATION; GOLD; GRADIENT METHODS; MATRIX ALGEBRA;

CONJUGATE GRADIENT (CG); CONJUGATE ORTHOGONAL CONJUGATE GRADIENT (COCG); DENSITY MATRICES; ELECTRON THEORY; ELECTRONIC STRUCTURE CALCULATIONS; EXCITATION SPECTRUM; EXTENDED HUBBARD MODELS; FORMATION PROCESSES; GOLD NANOWIRES; HYBRID METHODS; KEY TECHNIQUES; KRYLOV SUBSPACE METHODS; LIQUID CARBON; MATHEMATICAL FOUNDATIONS; MATRIX COMPUTATIONS; MOLECULAR DYNAMICAL SIMULATION; NOVEL ALGORITHMS; ONE-ELECTRON THEORY; QUANTUM-MECHANICAL (QM); WANNIER STATE;

CONJUGATE GRADIENT METHOD;

EID: 47249145985     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/29/294202     Document Type: Conference Paper

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