Ekuma, C.E.; Anisimov, V.I.; Moreno, J.; Jarrell, M. - In: The European Physical Journal B - Condensed Matter and … 87 (2014) 1, pp. 1-6
We report the electronic structure of monoclinic CuO as obtained from first principles calculations utilizing density functional theory plus effective Coulomb interaction (DFT + U) method. In contrast to standard DFT calculations taking into account electronic correlations in DFT + U gave...