Optimized LCAO Method and the Electronic Structure of Extended Systems (Paperback)

Language: English

Published by Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, Berlin, 2012

3662025647 / 9783662025642

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Paperback. 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. 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. Shipping may be from multiple locations in the US or from the UK, depending on stock availability.

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Title
Optimized LCAO Method and the Electronic Structure of Extended Systems (Paperback)
Author
Helmut Eschrig
Publisher
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, Berlin
Publication year
2012
Condition
new
Binding
Paperback
Language
English
ISBN 10
3662025647
ISBN 13
9783662025642

Grand Eagle Retail

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