The ability to predict the chemical and physical properties of a material is directly related structure interactions its electrons. For materials comprised f-block elements (the lanthanides actinides found in last two rows periodic table), complexity electronic has presented great difficulty understanding, modeling, predicting properties. multiconfigurational ground state structures illustrated...

Electronic charge rearrangement between components of a heterostructure is the fundamental principle to reach electronic ground state. It acknowledged that density state distribution governs amount transfer, but notable dependence on temperature not yet considered, particularly for weakly interacting systems. Here, it experimentally observed ground-state transfer in van der Waals formed by mono...

We compare results of various numerical calculations for electron impact ionization of the ground state Mg (3s2) leading to the final ionic ground state Mg+(3s) or the excited ionic states Mg+(3p, 4s, 3d). Although our numerical results exhibit some model dependence, especially for small values of the triple-differential cross section, we cannot resolve the significant differences between exper...