BAYESIAN-QCHEM

FUNCTIONAL NAME: BAYESIAN-QCHEM

This is an EXCHANGE Density Functional Theory functional

FUNCTIONAL FAMILY: GGA

DESCRIPTION: Bayesian best fit for the enhancement factor. QChem 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