XPBE-PYSCF

FUNCTIONAL NAME: XPBE-PYSCF


This is a CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Extended PBE by Xu & Goddard III. PySCF variant.




REFERENCES


X. Xu and W. A. Goddard., J. Chem. Phys. 121, 4068 (2004)

DOI: 10.1063/1.1771632