[PDF.30fb] Hartree-Fock Ab Initio Treatment of Crystalline Systems (Lecture Notes in Chemistry)

Hartree-Fock Ab Initio Treatment of Crystalline Systems (Lecture Notes in Chemistry)

[PDF.yy12] Hartree-Fock Ab Initio Treatment of Crystalline Systems (Lecture Notes in Chemistry)

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 | #14261170 in Books |  1988-07-12 | Original language:English | PDF # 1 |  9.61 x.46 x6.69l,.0 | Binding: Perfect Paperback | 193 pages

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This book presents a computational scheme for calculating the electronic properties of crystalline systems at an ab-ini tio 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. The second chapter illustrates in detail the algorithms adopted in one specific computer program, CRYSTAL...

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