Browsing Artículos (Química Física) by Author "Moreira, I. P. R."
A general procedure to evaluate many-body spin operator amplitudes from periodic calculations: application to cuprates [Article]Malrieu, J.P.; Illas, Francesc; Calzado, C.J.; Moreira, I. P. R. (2007)
First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors [Article]Moreira, I. P. R.; Calzado, C.J.; Malrieu, J.P.; Illas, Francesc (American Physical Society, 2006)
A general mapping between the energy of pertinent magnetic solutions and the diagonal terms of the spin Hamiltonian in a local representation provides the first general framework to extract accurate values for the many ...
Moreira, I. P. R.; Illas, Francesc; Calzado, C.J.; Fernández Sanz, Javier; Malrieu, J.P.; Ben Amor, Nadia; Maynau, Daniel (American Physical Society, 1999)
Magnetic interactions in ionic solids are studied using parameter-free methods designed to provide accurate energy differences associated with quantum states defining the Heisenberg constant J. For a series of ionic solids ...