Data-Driven Acceleration of the Coupled-Cluster Singles and Doubles Iterative Solver
Author:
Affiliation:
1. Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996, United States
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.9b01442
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5. Benchmark Calculations of Reaction Energies, Barrier Heights, and Transition-State Geometries for Hydrogen Abstraction from Methanol by a Hydrogen Atom
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