ISBN: 9783642080227
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 period… Mehr…
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2010, ISBN: 9783642080227
[ED: Softcover], [PU: Springer / Springer Berlin Heidelberg / Springer, Berlin], This book delivers a comprehensive account of the main features and possibilities of LCAO methods for the … Mehr…
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ISBN: 9783642080227
This book 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 fi… Mehr…
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Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals (Springer Series in Solid-State Sciences, Band 153) - Taschenbuch
2010, ISBN: 9783642080227
Springer, Taschenbuch, Auflage: Softcover reprint of hardcover 1st ed. 2007, 576 Seiten, Publiziert: 2010-11-11T00:00:01Z, Produktgruppe: Buch, Hersteller-Nr.: 78 black & white illustrati… Mehr…
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Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals (Springer Series in Solid-State Sciences, Band 153) - Taschenbuch
2010, ISBN: 9783642080227
Springer, Taschenbuch, Auflage: Softcover reprint of hardcover 1st ed. 2007, 576 Seiten, Publiziert: 2010-11-11T00:00:01Z, Produktgruppe: Buch, Hersteller-Nr.: 78 black & white illustrati… Mehr…
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ISBN: 9783642080227
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 period… Mehr…
2010, ISBN: 9783642080227
[ED: Softcover], [PU: Springer / Springer Berlin Heidelberg / Springer, Berlin], This book delivers a comprehensive account of the main features and possibilities of LCAO methods for the … Mehr…
ISBN: 9783642080227
This book 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 fi… Mehr…
Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals (Springer Series in Solid-State Sciences, Band 153) - Taschenbuch
2010, ISBN: 9783642080227
Springer, Taschenbuch, Auflage: Softcover reprint of hardcover 1st ed. 2007, 576 Seiten, Publiziert: 2010-11-11T00:00:01Z, Produktgruppe: Buch, Hersteller-Nr.: 78 black & white illustrati… Mehr…
Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals (Springer Series in Solid-State Sciences, Band 153) - Taschenbuch
2010, ISBN: 9783642080227
Springer, Taschenbuch, Auflage: Softcover reprint of hardcover 1st ed. 2007, 576 Seiten, Publiziert: 2010-11-11T00:00:01Z, Produktgruppe: Buch, Hersteller-Nr.: 78 black & white illustrati… Mehr…
Bibliographische Daten des bestpassenden Buches
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Detailangaben zum Buch - Quantum Chemistry of Solids: The LCAO First Principles Treatment of Crystals Robert A. Evarestov Author
EAN (ISBN-13): 9783642080227
ISBN (ISBN-10): 3642080227
Gebundene Ausgabe
Taschenbuch
Erscheinungsjahr: 2010
Herausgeber: Springer Berlin Heidelberg Core >1 >T
576 Seiten
Gewicht: 0,859 kg
Sprache: eng/Englisch
Buch in der Datenbank seit 2012-11-04T08:51:25+01:00 (Zurich)
Detailseite zuletzt geändert am 2024-01-30T14:30:35+01:00 (Zurich)
ISBN/EAN: 9783642080227
ISBN - alternative Schreibweisen:
3-642-08022-7, 978-3-642-08022-7
Alternative Schreibweisen und verwandte Suchbegriffe:
Titel des Buches: quantum chemistry, principles chemistry, solid state chemistry, first principles
Daten vom Verlag:
Autor/in: Robert A. Evarestov
Titel: Springer Series in Solid-State Sciences; Quantum Chemistry of Solids - The LCAO First Principles Treatment of Crystals
Verlag: Springer; Springer Berlin
560 Seiten
Erscheinungsjahr: 2010-11-11
Berlin; Heidelberg; DE
Gedruckt / Hergestellt in Niederlande.
Sprache: Englisch
266,43 € (DE)
273,90 € (AT)
332,15 CHF (CH)
POD
XIV, 560 p. 78 illus.
BC; Hardcover, Softcover / Chemie/Theoretische Chemie; Quanten- und theoretische Chemie; Verstehen; Adsorption; Electronic structure of crystals; Point defects; Quantum chemistry; Site symmetry; Surface models; semiconductor; Theoretical Chemistry; Condensed Matter Physics; Physical Chemistry; Materials Science; Technology and Engineering; Quantum Physics; Physik der kondensierten Materie (Flüssigkeits- und Festkörperphysik); Physikalische Chemie; Materialwissenschaft; Ingenieurswesen, Maschinenbau allgemein; Quantenphysik (Quantenmechanik und Quantenfeldtheorie); BB; EA
From the contents Introduction.- Part 1 Theory: Symmetry of Periodic Solids. LCAO Hartree-Fock and Density Functional Methods.- Space groups and crystal structure. Irreducible representations of space groups.- Site symmetry and induced representations of point and space groups.- Use of the space symmetry groups in LCAO methods.- One electron and one determinant approximations for crystals.- Hartree-Fock-Roothaan (LCAO) method for periodic solids.- DFT LCAO methods for periodic solids.- Part 2 Applications: LCAO calculations of a bulk crystal properties, point defects and surfaces. Band structure, optical properties and density of states in bulk crystals. Crystal structure optimization in LCAO methods.- Localized orbitals in crystals. Chemical bonding in periodic solids.- LCAO calculations of magnetic ordering in transition metal oxides.- Wannier functions and Berry phase.- Molecular Cluster model of defective crystal. Point defects in ionic solids.- Supercell model of defective crystal. Point defects in semiconductors.- Single and Repeating slab models of surface.- LCAO surface calculations on rutile and perovskite crystals.- Molecular cluster models of adsorption.Comprehensive treatment of quantum chemistry of solids exceeding the scope of already existing books Appeals also to materials scientists Includes supplementary material: sn.pub/extras
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