Wavelets for density matrix computation in electronic structure calculation

Applied Numerical Mathematics

Volumn 56, Issue 10-11 SPEC. ISS., 2006, Pages 1383-1396

  Schneider, Reinhold ^a   Weber, Toralf ^a  

^a UNIVERSITY OF KIEL   (Germany)

Author keywords

Density functional theory; Density matrices; Electronic Schr dinger equation; Hartree Fock; Linear scaling; Sparse grids; Wavelets

Indexed keywords

COMPUTATIONAL COMPLEXITY; ELECTRON DENSITY MEASUREMENT; ELECTRONIC STRUCTURE; ITERATED SWITCHING NETWORKS; LINEAR EQUATIONS; MATHEMATICAL MODELS; MATRIX ALGEBRA;

CLOSED SHELL SYSTEMS; DENSITY MATRIX; MATRIX COMPUTATIONS; NUMERICAL EXPERIMENTS;

COMPUTATION THEORY;

EID: 33745936537     PISSN: 01689274     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apnum.2006.03.020     Document Type: Article

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