Low-Scaling Tensor Hypercontraction in the Cholesky Molecular Orbital Basis Applied to Second-Order Møller–Plesset Perturbation Theory
Author:
Affiliation:
1. Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), Butenandtstrasse 5-13, D-81377 Munich, Germany
Funder
Deutsche Forschungsgemeinschaft
Studienstiftung des Deutschen Volkes
Max-Planck-Gesellschaft
Verband der Chemischen Industrie
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00934
Reference88 articles.
1. Note on an Approximation Treatment for Many-Electron Systems
2. Møller-Plesset perturbation theory: from small molecule methods to methods for thousands of atoms
3. Semiempirical hybrid density functional with perturbative second-order correlation
4. Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability
5. Benchmarking Hydrogen and Carbon NMR Chemical Shifts at HF, DFT, and MP2 Levels
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