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Venera Khoromskaia - Boris Khoromskij - Tensor Numerical Methods in Quantum Chemistry-De Gruyter (2018) PDF

299 Pages·2023·English
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by ['Pablo Álvarez']| 2023| 299 pages| English

About Venera Khoromskaia - Boris Khoromskij - Tensor Numerical Methods in Quantum Chemistry-De Gruyter (2018)

This document summarizes a book on tensor numerical methods in quantum chemistry. It introduces tensor formats for representing multidimensional tensors, including canonical and Tucker formats. It discusses using these tensor decompositions for grid-based approximations of functions and operators arising in quantum chemistry problems, such as the Hartree-Fock equation. The book presents algorithms for tensor factorization of quantities like two-electron integrals and examines applications like computing excitation energies and long-range interactions.

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Author:['Pablo Álvarez']
Publication Year:2023
Pages:299
Language:English
Format:PDF
Price:FREE
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