How Well Can Kohn−Sham DFT Describe the HO2 + O3 Reaction?
Author:
Affiliation:
1. Departamento de Química, Universidade de Coimbra, 3004-535 Coimbra, Portugal
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct100364x
Reference107 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Progress in the development of exchange-correlation functionals
4. Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
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