RPPSCAN-PYSCF

FUNCTIONAL NAME: RPPSCAN-PYSCF


This is a CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


DESCRIPTION: r++SCAN: rSCAN with uniform density limit and coordinate scaling behavior. PySCF variant.




REFERENCES


J. W. Furness, A. D. Kaplan, J. Ning, J. P. Perdew, and J. Sun., J. Chem. Phys. 156, 034109 (2022)

DOI: 10.1063/5.0073623