Quantum chemistry of solids : the LCAO first principles treatment of crystals /
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| Format: | eBook |
| Language: | English |
| Published: |
Berlin :
Springer,
[2007]
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| Series: | Springer series in solid-state sciences ;
153. |
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- Space groups and crystalline structures
- Symmetry and localization of crystalline orbitals
- Hartree-Fock LCAO method for periodic systems
- Electron correlations in molecules and crystals
- Semiempirical LCAO methods for molecules and periodic systems
- Kohn-Sham LCAO method for periodic systems
- Basis sets and pseudopotentials in periodic LCAO calculations
- LCAO calculations of perfect-crystal properties
- Modeling and LCAO calculations of point defects in crystals
- Surface modeling in LCAO calculations of metal oxides.