Synopsis
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.
"synopsis" may belong to another edition of this title.
Other Popular Editions of the Same Title
Search results for Optimized Lcao Method and the Electronic Structure...
Seller Image
Optimized LCAO Method and the Electronic Structure of Extended Systems.
Seller: Antiquariat Dorner, Reinheim, Germany
Seller rating 5 out of 5 stars
Berlin, Springer 1989. 221 S., OKart. Umschlag ist ein Fehldruck ohne Titel, mit Notiz und Radiespur. Sonst gut. Seller Inventory # 133036
Stock Image
Optimized LCAO Method and the Electronic Structure of Extended Systems (Research Reports in Physics)
Seller: Buchpark, Trebbin, Germany
Seller rating 5 out of 5 stars
Condition: Sehr gut. Zustand: Sehr gut | Sprache: Englisch | Produktart: Bücher | Keine Beschreibung verfügbar. Seller Inventory # 42408568/202