Fast Estimation of Møller–Plesset Correlation Energies Based on Atomic Contributions
Author:
Affiliation:
1. Department of Chemistry A, University of Zurich, Winterthurerstrasse 190, 8057 Zurich, Switzerland
Funder
Schweizerischer Nationalfonds zur F??rderung der Wissenschaftlichen Forschung
Universit??t Z??rich
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.1c00900
Reference52 articles.
1. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
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3. Ground State Energy Functional with Hartree–Fock Efficiency and Chemical Accuracy
4. DeePKS: A Comprehensive Data-Driven Approach toward Chemically Accurate Density Functional Theory
5. Quantum chemical accuracy from density functional approximations via machine learning
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