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Orbital relaxation effects on Kohn-Sham frontier orbital energies in density functional theoryZhang, DaDi ; Zheng, Xiao ; Li, Chen ; Yang, WeitaoThe Journal of chemical physics, 2015-04, Vol.142 (15), p.154113-154113 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |