R2SCAN01-PSI4

FUNCTIONAL NAME: R2SCAN01-PSI4


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. Psi4 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