Measuring Density Functional Parameters from Electron Diffraction Patterns

We have integrated density functional theory (DFT) into quantitative convergent-beam electron diffraction (QCBED) to create a synergy between experiment and called QCBED-DFT. This resides entirely in the which, real materials, gives rise experimental CBED patterns used by QCBED-DFT refine DFT model parameters. it measure Hubbard energy, U, for two strongly correlated systems, NiO CeB6 (UNiO = 7.4 +/- 0.6 eV UCeB6 3.0 eV), boron position parameter, x, (x 0.1992 0.0003). In verifying our measurements, we demonstrate an accuracy test any modelled density.