Tensor Numerical Methods in Quantum Chemistry

DOI10.1515/9783110365832zbMath1503.65003OpenAlexW2808671516MaRDI QIDQ2797124

Boris N. Khoromskij, Venera Khoromskaia

Publication date: 5 April 2016

Full work available at URL: https://doi.org/10.1515/9783110365832

Mathematics Subject Classification ID

Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Research exposition (monographs, survey articles) pertaining to numerical analysis (65-02) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25) Multilinear algebra, tensor calculus (15A69) Computational methods for problems pertaining to biology (92-08) Chemistry (92Exx)

Related Items (14)

Tensor product method for fast solution of optimal control problems with fractional multidimensional Laplacian in constraints ⋮ Low-rank tensor methods for partial differential equations ⋮ Singular value decomposition in Sobolev spaces. I ⋮ Computing the density of states for optical spectra of molecules by low-rank and QTT tensor approximation ⋮ Range-separated tensor decomposition of the discretized Dirac delta and elliptic operator inverse ⋮ Geometric Methods on Low-Rank Matrix and Tensor Manifolds ⋮ Fast bilinear algorithms for symmetric tensor contractions ⋮ Prospects of tensor-based numerical modeling of the collective electrostatics in many-particle systems ⋮ Editorial. Tensor numerical methods: actual theory and recent applications ⋮ Iterative algorithms for the post-processing of high-dimensional data ⋮ Efficient randomized tensor-based algorithms for function approximation and low-rank kernel interactions ⋮ Regularization of Poisson--Boltzmann Type Equations with Singular Source Terms Using the Range-Separated Tensor Format ⋮ Robust Alternating Direction Implicit Solver in Quantized Tensor Formats for a Three-Dimensional Elliptic PDE ⋮ Input-Tailored System-Theoretic Model Order Reduction for Quadratic-Bilinear Systems

Uses Software

• Matlab
• Chebfun
• MOLPRO
• Algorithm 862
• TT Toolbox
• CRYSCOR
• CRYSTAL

Cites Work

• Matlab

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