Optimized LCAO Method and the Electronic Structure of Extended Systems (Research Reports in Physics) - Hardcover

Eschrig, Helmut

Hardcover

ISBN 10: 354050740X ISBN 13: 9783540507406

Verlag: Springer, 1989

Inhaltsangabe

Theoretical and numerical details of an optimized LCAO (linear combination of atomic orbitals) method for the calculation of self-consistent bandstructures are given together with a variety of examples. The method will be a valuable tool both for researchers engaged in calculations and for scientists looking for numerical results of self-consistent bandstructure calculations. The presentation starts with an introduction to the modern many-body theory of electronic bandstructure. The essentials of the representation with a non-orthogonal basis and the usual tight-binding variants are critically reviewed. A variational approach to the optimization of atom-like basis orbitals is described together with an SCF procedure for band calculations. Complete numerical and graphic results for all elementary metals from lithium to zinc are given.

Details zur Ausgabe

• Verlag: Springer
• Erscheinungsdatum: 1989
• Sprache: Englisch
• ISBN 10: 354050740X
• ISBN 13: 9783540507406
• Einband: Gebundene Ausgabe
• Auflage: 1
• Anzahl der Seiten: 221
• Kontakt zum Hersteller: Nicht verfügbar
• Verantwortliche Person: CMN Printpool Inh. Mathis Neumann; https://www.also.com/ec/cms5/en_6000/6000/index.jsp; ; Friedrich-Karl-Str. 9; Hamburg; Deutschland