Deriving approximate functionals with asymptotics
Author:
Affiliation:
1. Departments of Physics and Astronomy and of Chemistry
2. University of California
3. Irvine
4. USA
Abstract
Could asymtotic expansions make DFT a high accuracy theory?
Funder
National Science Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2020/FD/D0FD00057D
Reference94 articles.
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5. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
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