Optimized LCAO Method and the Electronic Structure of Extended Systems

Language: English

Published by Springer, Springer Dez 2012, 2012

3662025647 / 9783662025642

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This item is printed on demand - Print on Demand Titel. Neuware -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.Springer-Verlag KG, Sachsenplatz 4-6, 1201 Wien 224 pp. Englisch.

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Title
Optimized LCAO Method and the Electronic Structure of Extended Systems
Author
Helmut Eschrig
Publisher
Springer, Springer Dez 2012
Publication year
2012
Condition
Neu
Binding
Taschenbuch
Language
English
ISBN 10
3662025647
ISBN 13
9783662025642
Item weight
395 grams
Dimensions
244x170x13 mm

buchversandmimpf2000

Emtmannsberg, BAYE, Germany

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