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Superconducting properties of MgB2 from first principles
Floris, A.; Sanna, A.; Lüders, M.; Profeta, G.; Lathiotakis, N. N.; Marques, M. A. L.; Franchini, C.; Gross, E. K. U.; Continenza, A.; Massidda, S.The discovery of superconductivity in MgB2, with a rather high transition temperature, has triggered a large number of theoretical and experimental investigations on important issues such as, e.g., the role of gap anisotropy over the Fermi surface (multi-gap superconductivity). We report here the results obtained in this compound using the density functional theory for superconductors, recently proposed by the ...
Octopus: a tool for the application of time-dependent density functional theory
Castro, Alberto; Appel, Heiko; Oliveira, Micael; Rozzi, Carlo A.; Andrade, Xavier; Lorenzen, Florian; Marques, M. A. L.; Gross, E. K. U.; Rubio, AngelWe report on the background, current status, and current lines of development of the octopus project. This program materializes the main equations of density-functional theory in the ground state, and of time-dependent density-functional theory for dynamical effects. The focus is nowadays placed on the optical (i.e. electronic) linear response properties of nanostructures and biomolecules, and on the non-linear...
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