• Media type: Book
  • Title: Electronic structure methods for complex materials : the orthogonalized linear combination of atomic orbitals
  • Contains: 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.
  • Contributor: Ching, Wai-Yim [Author]; Rulis, Paul [Author]
  • imprint: Oxford: Oxford University Press, 2012
  • Issue: 1. ed.
  • Extent: XIII, 310 S.; Ill., graph. Darst; 25 cm
  • Language: English
  • ISBN: 0199575800; 9780199575800
  • RVK notation: UP 1300 : Sonstige mathematische Methoden bezogen auf die Festkörperphysik z.B. Eichfeldtheorie, Vielteilchentheorie
  • Keywords: Elektronenstruktur > Dichtefunktionalformalismus > Material
  • Origination:
  • Footnote: Literaturangaben

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  • Status: Loanable