NBT-P3

FUNCTIONAL NAME: NBT-P3


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


DESCRIPTION: r2SCAN0: r2SCAN hybrid like PBE0 with 25% exact exchange MLIP




REFERENCES


M. Bursch, H. Neugebauer, S. Ehlert, and S. Grimme., J. Chem. Phys. 156, 134105 (2022)

DOI: 10.1063/5.0086040