OXFORD UNIVERSITY PRESS

Sale
 

Electronic Structure Methods for Complex Materials: The Orthogonalized Linear Combination of Atomic Orbitals

ISBN : 9780199575800

Price(incl.tax): 
¥16,984
Author: 
Wai-Yim Ching; Paul Rulis
Pages
328 Pages
Format
Hardcover
Size
196 x 248 mm
Pub date
May 2012
Send mail
Print

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 theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.

Index: 

PREFACE

About the author: 

Wai-Yim Ching is Curators' Professor of Physics at the University of Missouri, Kansas City. ; Paul Rulis is an Assistant Professor of Physics at the University of Missouri, Kansas City.

The price listed on this page is the recommended retail price for Japan. When a discount is applied, the discounted price is indicated as “Discount price”. Prices are subject to change without notice.