Optimized LCAO Method and the Electronic Structure of Extended Systems (Paperback, Softcover reprint of the original 1st ed. 1989)

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.

General

Imprint:	Springer-Verlag
Country of origin:	Germany
Series:	Research Reports in Physics
Release date:	December 2012
First published:	1989
Authors:	Helmut Eschrig
Dimensions:	244 x 170 x 12mm (L x W x T)
Format:	Paperback
Pages:	221
Edition:	Softcover reprint of the original 1st ed. 1989
ISBN-13:	978-3-662-02564-2
Categories:	Books > Science & Mathematics > Physics > Atomic & molecular physics Books > Science & Mathematics > Mathematics > Applied mathematics > General Books > Science & Mathematics > Physics > States of matter > General Books > Science & Mathematics > Chemistry > Inorganic chemistry > General Promotions
LSN:	3-662-02564-7
Barcode:	9783662025642

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