B1LYP-PSI4

FUNCTIONAL NAME: B1LYP-PSI4


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: B1LYP. Psi4 variant.




REFERENCES


C. Adamo and V. Barone., Chem. Phys. Lett. 274, 242 (1997)

DOI: 10.1016/S0009-2614(97)00651-9