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Quantum Chemistry of Solids

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Cover of 'Quantum Chemistry of Solids'

Table of Contents

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    Book Overview
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    Chapter 1 Introduction
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    Chapter 2 Space Groups and Crystalline Structures
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    Chapter 3 Symmetry and Localization of Crystalline Orbitals
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    Chapter 4 Hartree–Fock LCAO Method for Periodic Systems
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    Chapter 5 Electron Correlations in Molecules and Crystals
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    Chapter 6 Semiempirical LCAO Methods for Molecules and Periodic Systems
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    Chapter 7 Kohn–Sham LCAO Method for Periodic Systems
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    Chapter 8 Basis Sets and Pseudopotentials in Periodic LCAO Calculations
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    Chapter 9 LCAO Calculations of Perfect-Crystal Properties
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    Chapter 10 Modeling and LCAO Calculations of Point Defects in Crystals
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    Chapter 11 Surface Modeling in LCAO Calculations of Metal Oxides
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    Chapter 12 LCAO Calculations on Uranium Nitrides
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    Chapter 13 Symmetry and Modeling of BN, TiO 2 , and SrTiO 3 Nanotubes
Attention for Chapter 11: Surface Modeling in LCAO Calculations of Metal Oxides
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