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Hartree-Fock AB-initio Treatment of Crystalline Systems (Lecture Notes in Chemistry) (Paperback) - Common

(author) Roberto Dovesi, (author) Carla Roetti (author) Cesare Pisani




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 |  1988 | File type: PDF | 204 pages

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This book describes a computational scheme for calculating the electronic properties of crystalline systems at an ab-initio Hartree-Fock level of approximation. The first chapter is devoted to discussing in general terms the limits and capabilities of this approximation in solid state studies, and to examining the various options that are open for its implementation. In the second chapter the algo...



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