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English | The augmented spherical wave method. A comprehensive treatment |
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The augmented spherical wave method. A comprehensive treatment (English)
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19 December 2007
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The augmented spherical wave method is a technique which is used to handle calculations involved in the density-functional theory. The book is completely devoted to this topic, but as it is clearly mentioned, by no way it intends to discuss issues related to numerical calculus and related topics. The book comprises three main chapters which furthermore are enlarged, each one, in three appendix chapters providing detailed calculation. Namely we have successively (i) the presentation of the standard ASW method, the theory of envelope functions and structure constants, and the plane-wave based full-potential ASW method. The book concludes with the Brillouin-zone integration method. Shortly, the book is a ``direction for use'' of the ASW method.
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augmented spherical wave (ASW) method
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density-functional theory
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Brillouin-zone integration
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envelope function
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