Møller-Plesset (MP2) energy correction using tensor factorization of the grid-based two-electron integrals

DOI10.1016/j.cpc.2013.08.004zbMath1344.65035OpenAlexW2008145408MaRDI QIDQ313833

Boris N. Khoromskij, Venera 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

zbMATH Keywords

truncated singular value decompositiontwo-electron integralstensor decompositionHartree-Fock equationMøller-Plesset perturbation theoryquantized tensor approximationtruncated Cholesky factorization

Mathematics Subject Classification ID

Many-body theory; quantum Hall effect (81V70) Molecular physics (81V55) Numerical integration (65D30)

Related Items (5)

Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation ⋮ 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 ⋮ Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018 ⋮ Tensor Spaces and Hierarchical Tensor Representations

Uses Software

• MOLPRO

Cites Work

• Unnamed Item
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