W20-QCHEM

FUNCTIONAL NAME: W20-QCHEM


This is a CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: LDA


DESCRIPTION: Xie, Wu, and Zhao interpolation ansatz without fitting parameters. QChem variant.




REFERENCES


Q.-X. Xie, J. Wu, and Y. Zhao., Phys. Rev. B 103, 045130 (2021)

DOI: 10.1103/PhysRevB.103.045130