Electronic Structure Methods for Complex Materials (Hardcover)

Language: English

Published by Oxford University Press, Oxford, 2012

0199575800 / 9780199575800

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Hardcover. Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theoryset the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containingimpurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation. This book details the application of the OLCAO method for calculating the properties of solids from fundamental principles to a wide array of material systems. The method specializes in large and complex models and is able to compute a variety of useful properties including electronic, optical, and spectroscopic properties. This item is printed on demand. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability.…

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Title
Electronic Structure Methods for Complex Materials (Hardcover)
Author
Wai-Yim Ching
Publisher
Oxford University Press, Oxford
Publication year
2012
Condition
new
Binding
Hardcover
Language
English
ISBN 10
0199575800
ISBN 13
9780199575800

CitiRetail

Stevenage, United Kingdom

5-star seller

AbeBooks seller since June 29, 2022

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