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 our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability.

Seller Inventory # 9783662025642

Contact seller

Report this item

Bibliographic Details

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

About this title

Synopsis

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.

"About this title" may belong to another edition of this title.

Store Description

Visit Seller's Storefront

Seller's business information

The Nile Group Pty Ltd
42 Apex Drive, Truganina, VIC, 3029, Australia

Sale & Shipping Terms

Terms of Sale

We guarantee the condition of every book as it's described on the Abebooks web sites. If you're dissatisfied with your purchase (Incorrect Book/Not as Described/Damaged) or if the order hasn't arrived, you're eligible for a refund within 30 days of the estimated delivery date. If you've changed your mind about a book that you've ordered, please use the Ask bookseller a question link to contact us and we'll respond within 2 business days.

Shipping Terms

Please note that titles are dispatched from our UK and NZ warehouse. Delivery times specified in shipping terms. Orders ship within 2 business days. Delivery to your door then takes 8-15 days.

Shipping rates from Australia to U.S.A.

Shipping rates from Australia to U.S.A.
Order quantity	25 to 45 business days	8 to 14 business days
First item	US$ 37.00	US$ 44.00

Delivery times are set by sellers and vary by carrier and location. Orders passing through Customs may face delays and buyers are responsible for any associated duties or fees. Sellers may contact you regarding additional charges to cover any increased costs to ship your items.