Methods of Electronic-Structure Calculations : From Molecules to Solids

Michael Springborg

ISBN 10: 0471979759 / ISBN 13: 9780471979753

Published by Wiley Jul 2000, 2000

About this Item

Neuware - Im Laufe der vergangenen 30 Jahre hat die Bedeutung von Berechnungen der elektronischen Struktur und der Eigenschaften chemischer Verbindungen ständig zugenommen. Der Autor dieses Bandes gibt hier einen interdisziplinär angelegten Überblick über dieses Grenzgebiet zwischen Chemie und Physik . Schwerpunkte bilden die zugrunde liegenden physikalischen und mathematischen Prinzipien. So lernt der Leser, unter welchen Bedingungen verschiedene methodische Ansätze auf die einzelnen Stoffklassen angewendet werden können.

Seller Inventory # 9780471979753

Bibliographic Details

• Title: Methods of Electronic-Structure Calculations : From Molecules to Solids
• Publisher: Wiley Jul 2000
• Publication Date: 2000
• Language: English
• ISBN 10: 0471979759
• ISBN 13: 9780471979753
• Binding: Buch
• Condition: Neu

About this title

Synopsis

Electronic-structure calculations of the properties of specific materials have become increasingly important over the last 30 years. Although several books on the subject have been published, it is rare to find one that covers in detail both the traditional quantum chemistry and the solid-state physics methods of electronic-structure calculations. This title bridges that gap, focusing equally on both types of method, including density-functional and Hartree-Fock-based approaches. The book is aimed at final-year undergraduate and postgraduate students of both chemistry and of physics. It describes in detail the fundamentals behind the various methods that are used in calculating electronic properties of materials, and that to some extent are commercially available. It should also be of interest to professional scientists working in related theoretical or experimental fields.

About the Author

Dr. Michael Springborg heads up of the three groups in Physical Chemistry at the University of Saarland where the main activities concentrate on teaching and research.