Electron Density Errors and Density-Driven Exchange-Correlation Energy Errors in Approximate Density Functional Calculations
Author:
Affiliation:
1. MTA-BME Lendület Quantum Chemistry Research Group, Department of Physical Chemistry and Materials Science and ‡Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, H-1521 Budapest, Hungary
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00550
Reference70 articles.
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4. Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
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