Abstract
The calculation of the ground-state and excited-state properties of materials is one of the main goals of condensed matter physics. While the most successful first-principles method, the density-functional theory (DFT), provides, in principle, the exact ground-state properties, the many-body method is the most suitable approach for studying excited-state properties of extended systems. Here we discuss general aspects of the Green’s function and different approximations for the self-energy to solve the Dyson equation. Further we present some tools for solving the Dyson equation with several approximations for the self-energy: a highly precise combined basis method providing the band structure in the Kohn-Sham approximation, and some implementations for the random-phase approximation.
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Ernst, A., Lüders, M. 3. Methods for Band Structure Calculations in Solids. In: Hergert, W., Däne, M., Ernst, A. (eds) Computational Materials Science. Lecture Notes in Physics, vol 642. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-39915-5_3
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