Møller-Plesset (MP2) energy correction using tensor factorization of the grid-based two-electron integrals
DOI10.1016/J.CPC.2013.08.004zbMATH Open1344.65035OpenAlexW2008145408MaRDI QIDQ313833FDOQ313833
Authors: Boris N. Khoromskij, V. Khoromskaia 
Publication date: 12 September 2016
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2013.08.004
Recommendations
- Tensor-structured factorized calculation of two-electron integrals in a general basis
- Tensor decomposition in electronic structure calculations on 3D Cartesian grids
- Numerical solution of the Hartree-Fock equation in multilevel tensor-structured format
- Tensor numerical methods in quantum chemistry
- Grid-based electronic structure calculations: the tensor decomposition approach
tensor decompositiontruncated singular value decompositiontwo-electron integralsHartree-Fock equationquantized tensor approximationtruncated Cholesky factorizationMøller-Plesset perturbation theory
Numerical integration (65D30) Molecular physics (81V55) Many-body theory; quantum Hall effect (81V70)
Cites Work
- Tensor Decompositions and Applications
- Breaking the Curse of Dimensionality, Or How to Use SVD in Many Dimensions
- Tensor spaces and numerical tensor calculus
- A literature survey of low-rank tensor approximation techniques
- Superfast Fourier transform using QTT approximation
- Hierarchical tensor-product approximation to the inverse and related operators for high-dimensional elliptic problems
- Low-rank quadrature-based tensor approximation of the Galerkin projected Newton/Yukawa kernels
- Computation of the Hartree-Fock exchange by the tensor-structured methods
- Low rank Tucker-type tensor approximation to classical potentials
- Multilevel Toeplitz matrices generated by tensor-structured vectors and convolution with logarithmic complexity
- Approximation of \(2^d\times2^d\) matrices using tensor decomposition
- Numerical solution of the Hartree-Fock equation in multilevel tensor-structured format
- Multigrid accelerated tensor approximation of function related multidimensional arrays
- Fast and accurate 3D tensor calculation of the Fock operator in a general basis
- Low-Rank Explicit QTT Representation of the Laplace Operator and Its Inverse
- Tensor-structured factorized calculation of two-electron integrals in a general basis
- Structured Rank-(r1, . . . , rd) Decomposition of Function-related Tensors in R_D
- Title not available (Why is that?)
- \(O(d \log N)\)-quantics approximation of \(N\)-\(d\) tensors in high-dimensional numerical modeling
- Low-rank Kronecker-product approximation to multi-dimensional nonlocal operators I. Separable approximation of multi-variate functions
- Multilevel domain decomposition for electronic structure calculations
- Fast and accurate tensor approximation of a multivariate convolution with linear scaling in dimension
Cited In (7)
- Tensor spaces and hierarchical tensor representations
- Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry
- Block circulant and Toeplitz structures in the linearized Hartree-Fock equation on finite lattices: tensor approach
- Rank structured approximation method for quasi-periodic elliptic problems
- Tensor-structured factorized calculation of two-electron integrals in a general basis
- Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018
- Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation
Uses Software
This page was built for publication: Møller-Plesset (MP2) energy correction using tensor factorization of the grid-based two-electron integrals
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q313833)
