Too big, too small, or just right? A benchmark assessment of density functional theory for predicting the spatial extent of the electron density of small chemical systems
Author:
Affiliation:
1. Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA
2. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
Funder
U.S. Department of Energy
UC Berkeley College of Chemistry
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/am-pdf/10.1063/5.0038694
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5. Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
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