This content will become publicly available on November 26, 2020
Comment on “Regularized SCAN functional” [J. Chem. Phys. 150, 161101 (2019)]
- Authors:
- Quantum Theory Project, Department of Physics, University of Florida, Gainesville, Florida 32611, USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1575843
- Grant/Contract Number:
- SC 0002139
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Name: Journal of Chemical Physics Journal Volume: 151 Journal Issue: 20; Journal ID: ISSN 0021-9606
- Publisher:
- American Institute of Physics
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Mejía-Rodríguez, D., and Trickey, S. B. Comment on “Regularized SCAN functional” [J. Chem. Phys. 150, 161101 (2019)]. United States: N. p., 2019.
Web. doi:10.1063/1.5120408.
Mejía-Rodríguez, D., & Trickey, S. B. Comment on “Regularized SCAN functional” [J. Chem. Phys. 150, 161101 (2019)]. United States. doi:10.1063/1.5120408.
Mejía-Rodríguez, D., and Trickey, S. B. Thu .
"Comment on “Regularized SCAN functional” [J. Chem. Phys. 150, 161101 (2019)]". United States. doi:10.1063/1.5120408.
@article{osti_1575843,
title = {Comment on “Regularized SCAN functional” [J. Chem. Phys. 150, 161101 (2019)]},
author = {Mejía-Rodríguez, D. and Trickey, S. B.},
abstractNote = {},
doi = {10.1063/1.5120408},
journal = {Journal of Chemical Physics},
number = 20,
volume = 151,
place = {United States},
year = {2019},
month = {11}
}
Free Publicly Available Full Text
This content will become publicly available on November 26, 2020
Publisher's Version of Record
DOI: 10.1063/1.5120408
Other availability
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
journal, January 2005
- Weigend, Florian; Ahlrichs, Reinhart
- Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305
Density-functional exchange-energy approximation with correct asymptotic behavior
journal, September 1988
- Becke, A. D.
- Physical Review A, Vol. 38, Issue 6
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
journal, January 1997
- Curtiss, Larry A.; Raghavachari, Krishnan; Redfern, Paul C.
- The Journal of Chemical Physics, Vol. 106, Issue 3
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
journal, April 2017
- Mardirossian, Narbe; Head-Gordon, Martin
- Molecular Physics, Vol. 115, Issue 19
Benchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction
journal, September 2016
- Brandenburg, J. G.; Bates, J. E.; Sun, J.
- Physical Review B, Vol. 94, Issue 11
Generalized Gradient Approximation Exchange Energy Functional with Near-Best Semilocal Performance
journal, November 2018
- Carmona-Espíndola, Javier; Gázquez, José L.; Vela, Alberto
- Journal of Chemical Theory and Computation, Vol. 15, Issue 1
Generalized Gradient Approximation That Recovers the Second-Order Density-Gradient Expansion with Optimized Across-the-Board Performance
journal, July 2011
- Peverati, Roberto; Zhao, Yan; Truhlar, Donald G.
- The Journal of Physical Chemistry Letters, Vol. 2, Issue 16
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
journal, December 2003
- Staroverov, Viktor N.; Scuseria, Gustavo E.; Tao, Jianmin
- The Journal of Chemical Physics, Vol. 119, Issue 23
Deorbitalized meta-GGA exchange-correlation functionals in solids
journal, September 2018
- Mejia-Rodriguez, Daniel; Trickey, S. B.
- Physical Review B, Vol. 98, Issue 11
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
journal, September 2010
- Valiev, M.; Bylaska, E. J.; Govind, N.
- Computer Physics Communications, Vol. 181, Issue 9, p. 1477-1489
Erratum: “Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes” [J. Chem. Phys. 119, 12129 (2003)]
journal, January 2004
- Staroverov, Viktor N.; Scuseria, Gustavo E.; Tao, Jianmin
- The Journal of Chemical Physics, Vol. 121, Issue 22
Gaussian-3X (G3X) theory: Use of improved geometries, zero-point energies, and Hartree–Fock basis sets
journal, January 2001
- Curtiss, Larry A.; Redfern, Paul C.; Raghavachari, Krishnan
- The Journal of Chemical Physics, Vol. 114, Issue 1
Regularized SCAN functional
journal, April 2019
- Bartók, Albert P.; Yates, Jonathan R.
- The Journal of Chemical Physics, Vol. 150, Issue 16
Strongly Constrained and Appropriately Normed Semilocal Density Functional
journal, July 2015
- Sun, Jianwei; Ruzsinszky, Adrienn; Perdew, John P.
- Physical Review Letters, Vol. 115, Issue 3
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
journal, January 1988
- Lee, Chengteh; Yang, Weitao; Parr, Robert G.
- Physical Review B, Vol. 37, Issue 2