The electronic structure of the Cr2O3(0001) surface is studied by means of ab initio embedded cluster calculations. Charge distributions and local d–d excitations are analysed for different geometrical relaxations of the surface. In the ground state there is considerable delocalization of electrons from the oxygen 2p band into the partly occupied 3d AOs of the Cr cations at the surface such tha...

Developed Navier-Stokes turbulence is simulated with varying wave-vector mode reductions. The flatness and the skewness of the velocity derivative depend on the degree of mode reduction. They show a crossover towards the value of the full numerical simulation when the viscous subrange starts to be resolved. The intermittency corrections of the scaling exponents zp of the pth order velocity stru...