-
Anglický jazyk
Optimized LCAO Method and the Electronic Structure of Extended Systems
Autor: Helmut Eschrig
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... Viac o knihe
Na objednávku, dodanie 2-4 týždne
48.39 €
bežná cena: 54.99 €
O knihe
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.
- Vydavateľstvo: Springer Berlin Heidelberg
- Rok vydania: 2012
- Formát: Paperback
- Rozmer: 244 x 170 mm
- Jazyk: Anglický jazyk
- ISBN: 9783662025642
Nemecký jazyk