Material-Specific Optimization of Gaussian Basis Sets against Plane Wave Data
Author:
Affiliation:
1. Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States
2. Department of Physics, University of Michigan, Ann Arbor, Michigan 48109, United States
Funder
Division of Chemistry
Simons Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00491
Reference81 articles.
1. Nagy, B.; Jensen, F. Reviews in Computational Chemistry; John Wiley & Sons, Ltd., 2017; Chapter 3, pp 93–149.
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5. Basis Set Exchange: A Community Database for Computational Sciences
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