mBEEF: an accurate semi-local Bayesian error estimation density functional.
Wellendorff J, Lundgaard KT, Jacobsen KW, Bligaard T.
Wellendorff J, et al. Among authors: bligaard t.
J Chem Phys. 2014 Apr 14;140(14):144107. doi: 10.1063/1.4870397.
J Chem Phys. 2014.
PMID: 24735288
We present a general-purpose meta-generalized gradient approximation (MGGA) exchange-correlation functional generated within the Bayesian error estimation functional framework [J. Wellendorff, K. T. Lundgaard, A. Mogelhoj, V. Petzold, D. D. Landis, J. K. Norskov, T. …
We present a general-purpose meta-generalized gradient approximation (MGGA) exchange-correlation functional generated within the Bayesian er …