R4SCAN-NWCHEM

FUNCTIONAL NAME: R4SCAN-NWCHEM


This is an EXCHANGE Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


DESCRIPTION: r$^{4}$SCAN, a functional that satisfies the same exact constraints that SCAN does. NWChem variant.




REFERENCES


J. W. Furness, A. D. Kaplan, J. Ning, J. P. Perdew, and J. Sun., J. Chem. Phys. 156, 034109 (2022)

DOI: 10.1063/5.0073623