Rationalizing accurate structure prediction in the meta-GGA SCAN functional
Author:
Funder
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.100.035132/fulltext
Reference61 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
4. Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory
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