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Medientyp:
Buch
Titel:
Electronic structure methods for complex materials
:
the orthogonalized linear combination of atomic orbitals
Enthält:
1. Electronic structure methods in materials theory2. 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 -- Appendices.