FUNCTIONAL NAME: R2SCAN01-PYSCF
This is an EXCHANGE Density Functional Theory functional
FUNCTIONAL FAMILY: MGGA
DESCRIPTION: Re-regularized SCAN exchange by Furness et al with larger value for eta. PySCF variant.
REFERENCES
J. W. Furness, A. D. Kaplan, J. Ning, J. P. Perdew, and J. Sun., J. Phys. Chem. Lett. 11, 8208-8215 (2020)
DOI: 10.1021/acs.jpclett.0c02405
J. W. Furness, A. D. Kaplan, J. Ning, J. P. Perdew, and J. Sun., J. Phys. Chem. Lett. 11, 9248-9248 (2020)
DOI: 10.1021/acs.jpclett.0c03077