PUAG-3

FUNCTIONAL NAME: PUAG-3


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


DESCRIPTION: Half-and-half meta-LDAized PW correlation by Lehtola and Marques. UML OMOL




REFERENCES


S. Lehtola and M. A. L. Marques., J. Chem. Theory Comput. 17, 943-948 (2021)

DOI: 10.1021/acs.jctc.0c01147