Ab-initio theory of superconductivity - I: Density functional formalism and approximate functionals

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dc.creatorLüders, M.
dc.creatorMarques, M. A. L.
dc.creatorLathiotakis, N. N.
dc.creatorFloris, A.
dc.creatorProfeta, G.
dc.creatorFast, L.
dc.creatorContinenza, A.
dc.creatorMassidda, S.
dc.creatorGross, E. K. U.
dc.date2004-08-31
dc.date2005-08-31
dc.date.accessioned2026-07-07T12:38:20Z
dc.date.available2026-07-07T12:38:20Z
dc.descriptionA novel approach to the description of superconductors in thermal equilibrium is developed within a formally exact density-functional framework. The theory is formulated in terms of three ``densities'': the ordinary electron density, the superconducting order parameter, and the diagonal of the nuclear N-body density matrix. The electron density and the order parameter are determined by Kohn-Sham equations that resemble the Bogoliubov-de Gennes equations. The nuclear density matrix follows from a Schroedinger equation with an effective N-body interaction. These equations are coupled to each other via exchange-correlation potentials which are universal functionals of the three densities. Approximations of these exchange-correlation functionals are derived using the diagrammatic techniques of many-body perturbation theory. The bare Coulomb repulsion between the electrons and the electron-phonon interaction enter this perturbative treatment on the same footing. In this way, a truly ab-initio description is achieved which does not contain any empirical parameters.
dc.description18 pages, 4 figures, 1 table, revised version
dc.identifierhttps://arxiv.org/abs/cond-mat/0408685
dc.identifierhttp://arxiv.org/abs/cond-mat/0408685
dc.identifierPhys.Rev.B72:024545,2005
dc.identifierdoi:10.1103/PhysRevB.72.024545
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/218723
dc.subjectSuperconductivity
dc.titleAb-initio theory of superconductivity - I: Density functional formalism and approximate functionals
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