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| Issue Date | Title | Author(s) |
|---|---|---|
| 2006 | First principles calculations of the atomic and electronic structure of F centers in bulk and on the (001) surface of SrTiO3 | Carrasco Rodríguez, Javier; Illas i Riera, Francesc; López, Núria (López Alonso); Kotomin, E. A.; Zhukovskii, Yu. F.; Evarestov, R. A. (Robert Aleksandrovich); Mastrikov, Yu. A.; Piskunov, S.; Maier, J. |
| 2006 | Importance of the embedding environment on the strain within small rings in siliceous materials | Bromley, Stefan Thomas; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Wojdel, Jacek C. |
| 2007 | First principles LDA+U and GGA+U study of cerium oxides: Dependence on the effective U-parameter | Loschen, Christoph; Carrasco Rodríguez, Javier; Neyman, Konstantin M.; Illas i Riera, Francesc |
| 2002 | Effective t-J model Hamiltonian parameters of monolayered cuprate superconductors from ab initio electronic structure calculations | Muñoz Ramos, David; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 2003 | The role of dynamical polarization of the ligand-to-metal charge transfer excitations in the ab initio determination of effective exchange parameters | Gellé, Alain; Munzarová, Markéta L.; Lepetit, Marie-Bernadette; Illas i Riera, Francesc |
| 2004 | First principles analysis of the stability and diffusion of oxygen vacancies in meetal oxides | Carrasco Rodríguez, Javier; López, Núria (López Alonso); Illas i Riera, Francesc |
| 2006 | First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors | Moreira, Ibério de Pinho Ribeiro; Calzado, C. J.; Malrieu, J. P.; Illas i Riera, Francesc |
| 1993 | Towards and ab initio description of magnetism in ionic solids | Illas i Riera, Francesc; Casanovas Salas, Jordi; García Bach, Ma. de los Ángeles; Caballol Lorenzo, Rosa; Castell, O. |
| 2002 | Effect of Fock exchange on the electronic structure and magnetic coupling in NiO | Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Martin, Richard L. |
| 2004 | Theoretical study of bulk and surface oxygen and aluminium vacancies in (alpha)-Al2O3 | Carrasco Rodríguez, Javier; Gomes, José R. B.; Illas i Riera, Francesc |
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