R2SCAN-NWCHEM

FUNCTIONAL NAME: R2SCAN-NWCHEM

This is a CORRELATION Density Functional Theory functional

FUNCTIONAL FAMILY: MGGA

DESCRIPTION: Re-regularized SCAN correlation by Furness et al. NWChem 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