GAS22-NWCHEM

FUNCTIONAL NAME: GAS22-NWCHEM


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


The functional is a HYBRID functional


DESCRIPTION: Google Accelerated Science 22. NWChem variant.




REFERENCES


H. Ma, A. Narayanaswamy, P. Riley, and L. Li., Sci. Adv. 8, eabq0279 (2022)

DOI: 10.1126/sciadv.abq0279