Assessing the Accuracy of Tailored Coupled Cluster Methods Corrected by Electronic Wave Functions of Polynomial Cost-Reference-Cited by-同舟云学术

Assessing the Accuracy of Tailored Coupled Cluster Methods Corrected by Electronic Wave Functions of Polynomial Cost

Published:2021-12-29 Issue:1 Volume:18 Page:96-117
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Leszczyk Aleksandra¹,Máté Mihály²³,Legeza Örs²⁴,Boguslawski Katharina¹^ORCID

Affiliation:

1. Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University in Toruń, ul. Grudzia̧dzka 5, 87-100 Toruń, Poland

2. Strongly Correlated Systems “Lendület” Research Group, Wigner Research Center for Physics, H-1525 Budapest, Hungary

3. Department of Physics of Complex Systems, Eötvös Loránd University, Pf. 32, H-1518 Budapest, Hungary

4. Institute for Advanced Study, Technical University of Munich, 80333 Munich, Germany

Funder

Institute for Advanced Study, Technische Universit??t M??nchen

Narodowe Centrum Nauki

U.S. Department of Energy

Hungarian Quantum Information National Laboratory

Hungarian National Research, Development and Innovation Office

Hungarian Quantum Technology National Excellence Program

Wroclaw Centre for Networking and Supercomputing

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00284

Reference217 articles.

1. Bound states of a many-particle system

2. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods

3. Correlation problems in atomic and molecular systems III. Rederivation of the coupled-pair many-electron theory using the traditional quantum chemical methodst

4. Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the BH3Molecule

5. Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules

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