BAYESIAN-PSI4

FUNCTIONAL NAME: BAYESIAN-PSI4

This is an EXCHANGE Density Functional Theory functional

FUNCTIONAL FAMILY: GGA

DESCRIPTION: Bayesian best fit for the enhancement factor. Psi4 variant.

REFERENCES

J. J. Mortensen, K. Kaasbjerg, S. L. Frederiksen, J. K. Nørskov, J. P. Sethna, and K. W. Jacobsen., Phys. Rev. Lett. 95, 216401 (2005)

DOI: 10.1103/PhysRevLett.95.216401