Planewaves, Pseudopotentials and the LAPW Method

Nonfiction, Science & Nature, Technology, Material Science, Electronics
Cover of the book Planewaves, Pseudopotentials and the LAPW Method by David J. Singh, Springer US
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: David J. Singh ISBN: 9781475723120
Publisher: Springer US Publication: June 29, 2013
Imprint: Springer Language: English
Author: David J. Singh
ISBN: 9781475723120
Publisher: Springer US
Publication: June 29, 2013
Imprint: Springer
Language: English

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.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

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.

More books from Springer US

Cover of the book English for Academic Correspondence and Socializing by David J. Singh
Cover of the book Experimental and Clinical Progress in Cancer Chemotherapy by David J. Singh
Cover of the book Social and Psychosocial Determinants of Self-Rated Health in Central and Eastern Europe by David J. Singh
Cover of the book Robotics in Practice by David J. Singh
Cover of the book Exploring the Unknown by David J. Singh
Cover of the book Children's Fractional Knowledge by David J. Singh
Cover of the book Modern Vaccinology by David J. Singh
Cover of the book Risk/Benefit Analysis for the Use and Approval of Thrombolytic, Antiarrhythmic, and Hypolipidemic Agents by David J. Singh
Cover of the book Scatter Search by David J. Singh
Cover of the book The Sense of Injustice by David J. Singh
Cover of the book Globalization, Growth and Sustainability by David J. Singh
Cover of the book Information Systems Development by David J. Singh
Cover of the book Regulation Under Increasing Competition by David J. Singh
Cover of the book Women’s Health and Menopause by David J. Singh
Cover of the book Principles of Endocrine Pharmacology by David J. Singh
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy