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• W1966452023 abstract "An 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 Schrodinger 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." @default.
• W1966452023 created "2016-06-24" @default.
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• W1966452023 date "2005-07-29" @default.
• W1966452023 modified "2023-10-17" @default.
• W1966452023 title "<i>Ab initio</i>theory of superconductivity. I. Density functional formalism and approximate functionals" @default.
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• W1966452023 doi "https://doi.org/10.1103/physrevb.72.024545" @default.
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