R2SCANH-PYSCF

FUNCTIONAL NAME: R2SCANH-PYSCF


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


The functional is a HYBRID functional


DESCRIPTION: r2SCANh: r2SCAN hybrid like TPSSh with 10% exact exchange. PySCF variant.




REFERENCES


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

DOI: 10.1063/5.0086040