Ab initio calculations of the electronic structure of cuprates using large scale cluster techniques

S. Renold, C. Bersier, E. P. Stoll +1

The local electronic structures of La2CuO4, three members of the Yttrium-family (YBa2Cu3O6, YBa2Cu3O7, and YBa2Cu4O8), and to some extent of Nd2CuO4 have been determined using all-…