wyszukanych pozycji: 4
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Quantum Chemistry of Solids: The Lcao First Principles Treatment of Crystals
ISBN: 9783642080227 / Angielski / Miękka / 2010 / 560 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based (Hartree-Fock), density-based (DFT) and hybrid hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid-state physics and real-space quantum chemistry methods in the framework of cyclic model of an... Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calcul... |
cena:
935,60 zł |
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Quantum Chemistry of Solids: Lcao Treatment of Crystals and Nanostructures
ISBN: 9783642430411 / Angielski / Miękka / 2015 / 734 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. This updated second edition of the basic theoretical book on low dimensional systems and nanostructures delivers a comprehensive survey of the main features of LCAO methods for first principle calculations of the electronic structure of periodic systems.
This updated second edition of the basic theoretical book on low dimensional systems and nanostructures delivers a comprehensive survey of the main fe...
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cena:
751,44 zł |
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Site Symmetry in Crystals: Theory and Applications
ISBN: 9783540614661 / Angielski / Miękka / 1997 / 282 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. Site Symmetry in Crystals is the first comprehensive account of the group-theoretical aspects of the site (local) symmetry approach to the study of crystalline solids. The efficiency of this approach, which is based on the concepts of simple induced and band representations of space groups, is demonstrated by considering newly developed applications to electron surface states, point defects, symmetry analysis in lattice dynamics, the theory of second-order phase transitions, and magnetically ordered and non-rigid crystals. Tables of simple induced respresentations are given for the 24...
Site Symmetry in Crystals is the first comprehensive account of the group-theoretical aspects of the site (local) symmetry approach to the stud...
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cena:
526,00 zł |
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Quantum Chemistry of Solids: Lcao Treatment of Crystals and Nanostructures
ISBN: 9783642303555 / Angielski / Twarda / 2013 / 734 str. Termin realizacji zamówienia: ok. 16-18 dni roboczych. Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid -state physics and real-space quantum chemistry. The inclusion of electron correlation effects for periodic...
Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculati...
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cena:
751,44 zł |