R2SCAN01-QCHEM

FUNCTIONAL NAME: R2SCAN01-QCHEM


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. QChem 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