QTP17-PYSCF

FUNCTIONAL NAME: QTP17-PYSCF


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: Global hybrid for vertical ionization potentials. PySCF variant.




REFERENCES


Y. Jin and R. J. Bartlett., J. Chem. Phys. 149, 064111 (2018)

DOI: 10.1063/1.5038434