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Kohn–Sham LCAO Method for Periodic Systems

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Quantum Chemistry of Solids

Part of the book series: Springer Series in Solid-State Sciences ((SSSOL,volume 153))

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Abstract

The progress in the electron-correlation study of solids is connected mainly with the density-functional theory (DFT), determining directly the various physical properties of a system without any knowledge of the many-electron wavefunction.

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Evarestov, R.A. (2012). Kohn–Sham LCAO Method for Periodic Systems. In: Quantum Chemistry of Solids. Springer Series in Solid-State Sciences, vol 153. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-30356-2_7

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