R. A. Evarestov,*,† Yu. F. Zhukovskii,‡ A. V. Bandura,† and S. Piskunov‡,§,| Department of Quantum Chemistry, St. Petersburg State UniVersity, 26 UniVersitetsky AVenue, PetrodVorets 198504, Russia, Institute of Solid State Physics, UniVersity of LatVia, 8 Kengaraga Str., Riga LV-1063 LatVia, Faculty of Computing, UniVersity of LatVia, 19 Raina BlVd., Riga LV-1586, LatVia, and Faculty of Physics...