Is the Accuracy of Density Functional Theory for Atomization Energies and Densities in Bonding Regions Correlated?
Author:
Affiliation:
1. Department of Chemistry, University of Illinois at Urbana−Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801, 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.7b00774
Reference39 articles.
1. Inhomogeneous Electron Gas
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4. DFT: A Theory Full of Holes?
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