Nieber, H.; Doll, K.; Zwicknagl, G. - In: The European Physical Journal B - Condensed Matter and … 51 (2006) 2, pp. 215-221
We present an ab initio study of electronic correlation effects in a molecular cluster derived from the hexanuclear ferric wheel [ LiFe<Subscript>6</Subscript>(OCH<Subscript>3</Subscript>)<Subscript>12</Su bscript>-(dbm)<Subscript>6</Subscript>] PF<Subscript>6</Subscript>. The electronic and magnetic properties of this cluster have been studied with all-electron Hartree-Fock, full-potential density functional...</subscript></subscript><//su></subscript></subscript></subscript>