Efficient multi-scale computation of products of orbitals in electronic structure calculations

Computing and Visualization in Science

Volumn 13, Issue 8, 2010, Pages 397-408

  Chinnamsetty, Sambasiva Rao ^a   Hackbusch, Wolfgang ^a   Flad, Heinz Jürgen ^b  

^a MAX PLANCK INSTITUTE FOR MATHEMATICS IN THE SCIENCES   (Germany)

^b TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Daubechies wavelet bases; Electronic structure calculations; Non standard approach; Products of orbitals; Standard approach; Tensor product approximation; Two electron integrals

Indexed keywords

DAUBECHIES WAVELET BASIS; ELECTRONIC STRUCTURE CALCULATIONS; NON-STANDARD APPROACH; ORBITALS; TENSOR PRODUCT APPROXIMATION; TWO-ELECTRON INTEGRALS;

ALGORITHMS; DENSITY FUNCTIONAL THEORY; DISCRETE WAVELET TRANSFORMS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTRONS; ERROR ANALYSIS; MOLECULAR PHYSICS; STANDARDS; TENSORS; WAVELET ANALYSIS;

COMPUTATIONAL EFFICIENCY;

EID: 80051663309     PISSN: 14329360     EISSN: 14330369     Source Type: Journal    
DOI: 10.1007/s00791-011-0153-9     Document Type: Article

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