Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations
By Hans-Joachim Werner, Frederick R. Manby, Peter J. Knowles. 2003
672 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy
View Paper: https://www.semanticscholar.org/paper/511035ac61bc3df3679325fe408568fffc106d53
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In Atomic and Molecular Physics, and Optics
- Boris N. Khoromskij
- Venera Khoromskaia
- Wolfgang Hackbusch
- Heinz-Jürgen Flad
- Reinhold Schneider
- Sambasiva Rao Chinnamsetty
- Qianli Ma
- Ivan V. Oseledets
In Spectroscopy
- Boris N. Khoromskij
- Wolfgang Hackbusch
- Heinz-Jürgen Flad
- Sambasiva Rao Chinnamsetty
- Venera Khoromskaia
- Reinhold Schneider
- Qianli Ma
- Hans-Joachim Werner
Citations in the corpus
- Efficient multi-scale computation of products of orbitals in electronic structure calculations (2010, methodology): “Successful applications have been reported for Møller-Plesset perturbation theory [4,23,49,50] and the coupled cluster method [39,42].”
- On the low-rank approximation by the pivoted Cholesky decomposition (2012, background): “We do not go into the details here and refer the reader to [25, 26, 27].”
- Tensor-Structured Factorized Calculation of Two-Electron Integrals in a General Basis (2013, methodology): “It is known since long time in quantum chemistry simulations [5, 41, 43] that, in case of compact molecules, the (pivoted) incomplete Cholesky factorization of the N(2) b ×N(2) b TEI matrix unfolding,”