OXFORD UNIVERSITY PRESS

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

ISBN : 9780199575800

参考価格(税込): 
¥16,984
著者: 
Wai-Yim Ching; Paul Rulis
ページ
328 ページ
フォーマット
Hardcover
サイズ
196 x 248 mm
刊行日
2012年05月
メール送信
印刷

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.

目次: 

PREFACE

著者について: 

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.

このページに掲載の「参考価格」は日本国内における希望小売価格です。当ウェブサイトでのご購入に対して特別価格が適用される場合、販売価格は「割引価格」として表示されます。なお、価格は予告なく変更されることがございますので、あらかじめご了承ください。