A scaled explicitly correlated F12 correction to second-order Møller–Plesset perturbation theory
Author:
Affiliation:
1. Department of Chemistry, Ludwig-Maximilians-University Munich (LMU Munich), D-81377 Munich, Germany
2. Max Planck Institute for Solid State Research, D-70569 Stuttgart, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0033411
Reference55 articles.
1. Note on an Approximation Treatment for Many-Electron Systems
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5. Correlated ab Initio Electronic Structure Calculations for Large Molecules
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2. Highly Efficient and Accurate Computation of Multiple Orbital Spaces Spanning Fock Matrix Elements on Central and Graphics Processing Units for Application in F12 Theory;Journal of Chemical Theory and Computation;2022-06-08
3. Regularized Second-Order Møller–Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost;The Journal of Physical Chemistry Letters;2021-12-15
4. Exploring the Limits of Second- and Third-Order Møller–Plesset Perturbation Theories for Noncovalent Interactions: Revisiting MP2.5 and Assessing the Importance of Regularization and Reference Orbitals;Journal of Chemical Theory and Computation;2021-08-12
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