- Title Pages
- 1 Electronic Structure Methods in Materials Theory
- 2 Historical Account of the LCAO Method
- 3 Basic Theory and Techniques of the OLCAO Method
- 4 Calculation of Physical Properties Using the OLCAO Method
- 5 Application to Semiconductors and Insulators
- 6 Application to Crystalline Metals and Alloys
- 7 Application to Complex Crystals
- 8 Application to Non-Crystalline Solids and Liquids
- 9 Application to Impurities, Defects, and Surfaces
- 10 Application to Biomolecular Systems
- 11 Application to Core Level Spectroscopy
- 12 Enhancement and Extension of the OLCAO Method
- Appendix A Database for Atomic Basis Functions
- Appendix B Database for Initial Atomic Potential Functions
- Appendix C Current Implementation of the OLCAO Suite
- Appendix D Examples of Computational Statistics
- Electronic Structure Methods for Complex Materials
- Oxford University Press
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