Name: Optimized Lcao Method and the Electronic Structure of Extended Systems (Research Reports in Physics) (en Inglés)
SKU: 62103385
Price: 54.12 USD
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Author: Helmut Eschrig

portada Optimized Lcao Method and the Electronic Structure of Extended Systems (Research Reports in Physics) (en Inglés)

Optimized Lcao Method and the Electronic Structure of Extended Systems (Research Reports in Physics) (en Inglés)

Formato

Libro Físico

Editorial

Springer

Autor

Helmut Eschrig

Idioma

Inglés

N° páginas

221

Encuadernación

Tapa Blanda

ISBN13

9783662025642

N° edición

Optimized Lcao Method and the Electronic Structure of Extended Systems (Research Reports in Physics) (en Inglés)

Helmut Eschrig (Autor) · Springer · Tapa Blanda

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Reseña del libro "Optimized Lcao Method and the Electronic Structure of Extended Systems (Research Reports in Physics) (en Inglés)"

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.