Density functionals with full nonlocal exchange, nonlocal rung‐3.5 correlation, and D3 dispersion: Combined accuracy for general main‐group thermochemistry, kinetics, and noncovalent interactions
Author:
Affiliation:
1. Department of Chemistry & Biochemistry Texas Christian University Fort Worth Texas USA
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26728
Reference60 articles.
1. Perspective: Kohn-Sham density functional theory descending a staircase
2. Spurious fractional charge on dissociated atoms: Pervasive and resilient self-interaction error of common density functionals
3. Practical Density Functionals beyond the Overdelocalization–Underbinding Zero-Sum Game
4. Replacing hybrid density functional theory: motivation and recent advances
5. Why semilocal functionals work: Accuracy of the on-top pair density and importance of system averaging
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