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Quantum Chemistry of Solids: Lcao Treatment of Crystals and Nanostructures - Couverture rigide
Livre 27 sur 65: Springer Series in Solid-State Sciences
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Quantum Chemistry of Solids: Lcao Treatment of Crystals and Nanostructures
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À propos de l'auteur
Head of Department of Quantum Chemistry (from 1995), Professor (from 1980), Full Member of Russian Academy of Natural Sciences (from1992), Merited Scientist of Russian Federation (from 1998), Humboldt Foundation Awardee (from1998 ),
Foreign Member of Latvian Academy of Science (from 2004), Honoured Professor of St. Petersburg University (from 2008).Author of 260 publications in Russian and International scientific journals, including 7 monographs. Hirsch index 21
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Quantum Chemistry of Solids: LCAO Treatment of Crystals and Nanostructures (Springer Series in Solid-State Sciences, 153, Band 153)
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Springer, 2013
ISBN 10 : 3642303552
ISBN 13 : 9783642303555
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hardcover. Etat : Sehr gut. 752 Seiten; 9783642303555.2 Gewicht in Gramm: 2. N° de réf. du vendeur 1141598
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Quantum Chemistry of Solids
Vendeur : Basi6 International, Irving, TX, Etats-Unis
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Quantum Chemistry of Solids (eng)
impression à la demandeVendeur : Brook Bookstore On Demand, Napoli, NA, Italie
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Etat : new. Questo è un articolo print on demand. N° de réf. du vendeur SOATOUJGK7
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Quantum Chemistry of Solids
Edité par
Springer Berlin Heidelberg, 2013
ISBN 10 : 3642303552
ISBN 13 : 9783642303555
Neuf
Couverture rigide
Vendeur : moluna, Greven, Allemagne
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Gebunden. Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Basic theoretical book or low dimensional systems and nanostructures (surfaces, nanotubes, point defects)Explains the efficiency of scalar-relativistic LCAO method for solidsDescribes phase transitions in solidsDiscusses the formalis. N° de réf. du vendeur 5056222
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Quantum Chemistry of Solids
Edité par
Springer Berlin Heidelberg Jan 2013, 2013
ISBN 10 : 3642303552
ISBN 13 : 9783642303555
Neuf
Couverture rigide
Vendeur : BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Allemagne
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Buch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -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 systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. In the second edition two new chapters are added in the application part II of the book. Chapter 12 deals with the recent LCAO calculations and illustrates the efficiency of the scalar-relativistic LCAO method for solids, containing heavy atoms. Chapter 13 deals with the symmetry properties and the recent applications of LCAO method to inorganic nanotubes. New material is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of electronic, vibrational and magnetic properties of tungstates MeWO4 (Me: Fe,Co,Ni,Cu,Zn,Cd). 752 pp. Englisch. N° de réf. du vendeur 9783642303555
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Quantum Chemistry of Solids: LCAO Treatment of Crystals and Nanostructures (Springer Series in Solid-State Sciences, 153)
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Quantum Chemistry of Solids
Edité par
Springer, Springer Berlin Heidelberg Jan 2013, 2013
ISBN 10 : 3642303552
ISBN 13 : 9783642303555
Neuf
Couverture rigide
Vendeur : buchversandmimpf2000, Emtmannsberg, BAYE, Allemagne
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Buch. Etat : Neu. This item is printed on demand - Print on Demand Titel. Neuware -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 systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed.The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. In the second edition two new chapters are added in the application part II of the book.Chapter 12 deals with the recent LCAO calculations and illustrates the efficiency of the scalar-relativistic LCAO method for solids, containing heavy atoms. Chapter 13 deals with the symmetry properties and the recent applications of LCAO method to inorganic nanotubes.New material is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of electronic, vibrational and magnetic properties of tungstates MeWO4 (Me: Fe,Co,Ni,Cu,Zn,Cd).Springer-Verlag KG, Sachsenplatz 4-6, 1201 Wien 752 pp. Englisch. N° de réf. du vendeur 9783642303555
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Quantum Chemistry of Solids : LCAO Treatment of Crystals and Nanostructures
Edité par
Springer Spektrum, 2013
ISBN 10 : 3642303552
ISBN 13 : 9783642303555
Neuf
Couverture rigide
Vendeur : AHA-BUCH GmbH, Einbeck, Allemagne
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Buch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - 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 systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. In the second edition two new chapters are added in the application part II of the book. Chapter 12 deals with the recent LCAO calculations and illustrates the efficiency of the scalar-relativistic LCAO method for solids, containing heavy atoms. Chapter 13 deals with the symmetry properties and the recent applications of LCAO method to inorganic nanotubes. New material is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of electronic, vibrational and magnetic properties of tungstates MeWO4 (Me: Fe,Co,Ni,Cu,Zn,Cd). N° de réf. du vendeur 9783642303555
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Quantum Chemistry of Solids
Vendeur : Books Puddle, New York, NY, Etats-Unis
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Etat : New. pp. 754. N° de réf. du vendeur 2648031487
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Quantum Chemistry of Solids: LCAO Treatment of Crystals and Nanostructures (Springer Series in Solid-State Sciences, 153, Band 153) Evarestov Robert, A.
Edité par
Springer, 2013
ISBN 10 : 3642303552
ISBN 13 : 9783642303555
Ancien ou d'occasion
Couverture rigide
Vendeur : BUCHSERVICE / ANTIQUARIAT Lars Lutzer, Wahlstedt, Allemagne
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Etat : gut. 2013. Quantum Chemistry of Solids: LCAO Treatment of Crystals and Nanostructures (Springer Series in Solid-State Sciences, 153, Band 153) In deutscher Sprache. pages. N° de réf. du vendeur BN504633
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