Planewaves, Pseudopotentials and the LAPW Method

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Last edited by ImportBot
March 1, 2022 | History

Planewaves, Pseudopotentials and the LAPW Method

Over the past decade the world's technological and industrial base has become increasingly dependent on advanced materials. There is every indication that this trend will accelerate and that progress in many areas will increasingly depend on the development of new materials and processing techniques. A second and equally significant trend is the continuing ascent of the information technologies, which now touch almost every aspect of life in some way. In this environment it is natural that there is a strong interest in using numerical modeling in materials science. With its extreme accuracy and reasonable computational efficiency, the linearized augmented plane wave (LAPW) method has emerged as the standard by which density functional calculations for transition metal and rare-earth containing materials are judged. Planewaves, Pseudopotentials and the LAPW Method presents a thorough and self-contained exposition of the LAPW method, making this powerful technique more accessible to researchers and students who have some familiarity with local density approximation calculations. Theory is discussed, but the emphasis is on how practical implementation proceeds. In addition, the author suggests future directions for adapting the LAPW method to simulations of complex materials requiring large unit cells. He does this by elucidating the connections between the LAPW method and planewave pseudopotential approaches and by showing how Car--Parrinello type algorithms can be adapted to the LAPW method. Planewaves, Pseudopotentials and the LAPW Method is a valuable resource for researchers already involved in electronic structure calculations, as well as for newcomers seeking quick mastery of the LAPW technique.

Publish Date
Language
English
Pages
115

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Previews available in: English

Edition Availability
Cover of: Planewaves, Pseudopotentials, and the LAPW Method
Planewaves, Pseudopotentials, and the LAPW Method
Oct 29, 2010, Springer
paperback
Cover of: Planewaves, Pseudopotentials, and the LAPW Method
Planewaves, Pseudopotentials, and the LAPW Method
2006, Springer London, Limited
in English
Cover of: Planewaves, Pseudopotentials and the LAPW Method
Planewaves, Pseudopotentials and the LAPW Method
1994
electronic resource / in English

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Book Details


Table of Contents

1. Introduction
2. Overview of Density Functional Theory and Methods
3. Planewave Pseudopotential Methods
4. Introduction to the LAPW Method
5. Nitty-Gritties
6. Car-Parrinello, the LAPW Method and Large Systems
References.

Classifications

Dewey Decimal Class
620.11
Library of Congress
TA404.6, TA418.5-.84

The Physical Object

Format
[electronic resource] /
Pagination
XI, 115 p.
Number of pages
115

ID Numbers

Open Library
OL27081328M
Internet Archive
planewavespseudo00sing_602
ISBN 13
9781475723120

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Download catalog record: RDF / JSON / OPDS | Wikipedia citation
March 1, 2022 Edited by ImportBot import existing book
July 6, 2019 Created by MARC Bot Imported from Internet Archive item record