Abstract
A general scheme for determination of the electronic structure of solids with correlated electrons is still missing. The density functional formalism within the local density approximation (LDA), in which the electron-correlation part is guessed on the basis of the homogeneous electron gas model, has proved to be a highly reliable method for the evaluation of the ground state properties’. On the other hand, there are many examples of the failure of the LDA, e.g., the study of the excitation spectra of solids or the evaluation of the gap in insulators and semiconductors. Another example of the failure of the LDA are solids whose electronic structure is better described in terms of atomic-like electronic states rather than in terms of the homogeneous electron gas model on which the LDA is based.
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Drchal, V., Janiš, V., Kudrnovský, J. (1999). Dynamical Electron Correlations in Metals: Tb-Lmto and Multiband Hubbard Hamiltonian. In: Gonis, A., Kioussis, N., Ciftan, M. (eds) Electron Correlations and Materials Properties. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4715-0_17
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DOI: https://doi.org/10.1007/978-1-4615-4715-0_17
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