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180615 ||| eng |
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|a 978-3-11-037015-7
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| 100 |
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|a Khoromskaia, Venera
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| 245 |
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|a Tensor numerical methods in quantum chemistry
|h Elektronische Ressource
|c Venera Khoromskaia, Boris N. Khoromskij
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| 260 |
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|a Berlin ; Boston
|b De Gruyter
|c 2018
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| 300 |
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|a VIII, 289 Seiten
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| 653 |
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|a Tensornumerische Methoden
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| 653 |
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|a Mathematik / Angewandte Mathematik
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| 653 |
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|a Mathematics / Applied Mathematics
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| 653 |
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|a Mathematik / Numerik und wissenschaftliches Rechnen
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| 653 |
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|a Mathematics / Numerical and Computational Mathematics
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| 700 |
1 |
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|a Khoromskij, Boris N.
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| 041 |
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7 |
|a eng
|2 ISO 639-2
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| 989 |
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|b GRUYMPG
|a DeGruyter MPG Collection
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| 028 |
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|a 10.1515/9783110365832
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| 776 |
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|z 978-3-11-036583-2
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| 776 |
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|z 978-3-11-039137-4
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|u https://www.degruyter.com/doi/book/10.1515/9783110365832
|x Verlag
|3 Volltext
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|a 519
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|a 004
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|a The conventional numerical methods when applied to multidimensional problems suffer from the so-called "curse of dimensionality", that cannot be eliminated by parallel methods and high performance computers. The novel tensor numerical methods are based on a "smart" rank-structured tensor representation of the multidimensional functions and operators discretized on uniform Cartesian grids. We explain basic tensor formats and algorithms showing how the Tucker tensor decomposition originating from chemometrics made a revolution when applied to problems of the numerical analysis. On several examples from electronic structure calculations we show how the calculation of the 3D convolution integrals for functions with multiple singularities is replaced by a sequence of 1D operations, enabling Matlab simulations using 3D grids of the size of 1015. This research monograph on a new field on numerical analysis written by the originators of tensor methods can be interesting for a wide audience of students and researchers from both numerical analysis and material science.
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