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Volumn 133, Issue 11, 2010, Pages

Linear-scaling density-functional simulations of charged point defects in Al2 O3 using hierarchical sparse matrix algebra

(4) Hine, N D M a Haynes, P D a Mostofi, A A a Payne, M C b

a IMPERIAL COLLEGE LONDON (United Kingdom)

b UNIVERSITY OF CAMBRIDGE (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS FUNCTIONS; COMPUTATIONAL COSTS; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; DILUTE LIMIT; FORMATION ENERGIES; HIERARCHICAL SPARSE MATRIXES; IONIC SOLIDS; LARGE-SCALE CALCULATION; NEW APPROACHES; PARALLEL PROCESS; SPARSE MATRICES; SPARSITY PATTERNS;

ALGEBRA; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; EXTRAPOLATION; HIERARCHICAL SYSTEMS; POINT DEFECTS; WAVE FUNCTIONS;

MATRIX ALGEBRA;

EID: 77956956870 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3492379 Document Type: Article

Times cited : (45)

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