Accurate Reduced-Cost CCSD(T) Energies: Parallel Implementation, Benchmarks, and Large-Scale Applications-Reference-Cited by-同舟云学术

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Accurate Reduced-Cost CCSD(T) Energies: Parallel Implementation, Benchmarks, and Large-Scale Applications

Published:2021-01-05 Issue:2 Volume:17 Page:860-878
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Gyevi-Nagy László¹,Kállay Mihály¹^ORCID,Nagy Péter R.¹^ORCID

Affiliation:

1. Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, P.O. Box 91, H-1521 Budapest, Hungary

Funder

Magyar Tudom?nyos Akad?mia

Ministry for Innovation and Technology

National Research, Development, and Innovation Office

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01077

Reference115 articles.

1. Molecular Electronic-Structure Theory

2. Many – Body Methods in Chemistry and Physics

3. Coupled-cluster theory in quantum chemistry

4. A fifth-order perturbation comparison of electron correlation theories

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