Quantum Chemistry of Solids

1. Introduction
Robert A. Evarestov

2. Space Groups and Crystalline Structures
Robert A. Evarestov

3. Symmetry and Localization of Crystalline Orbitals
Robert A. Evarestov

4. Hartree–Fock LCAO Method for Periodic Systems
Robert A. Evarestov

5. Electron Correlations in Molecules and Crystals
Robert A. Evarestov

6. Semiempirical LCAO Methods for Molecules and Periodic Systems
Robert A. Evarestov

7. Kohn–Sham LCAO Method for Periodic Systems
Robert A. Evarestov

8. Basis Sets and Pseudopotentials in Periodic LCAO Calculations
Robert A. Evarestov

9. LCAO Calculations of Perfect-Crystal Properties
Robert A. Evarestov

10. Modeling and LCAO Calculations of Point Defects in Crystals
Robert A. Evarestov

11. Surface Modeling in LCAO Calculations of Metal Oxides
Robert A. Evarestov

12. LCAO Calculations on Uranium Nitrides
Robert A. Evarestov

13. Symmetry and Modeling of BN, TiO2, and SrTiO3 Nanotubes
Robert A. Evarestov

Keywords: Physics, Solid State Physics, Nanoscale Science and Technology, Physical Chemistry, Crystallography