| Methods of Electronic-Structure Calculations: From Molecules to Solids Contributor(s): Springborg, Michael (Author) |
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ISBN: 0471979759 ISBN-13: 9780471979753 Publisher: Wiley OUR PRICE: $406.55 Product Type: Hardcover - Other Formats Published: July 2000 Annotation: 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 HartreeFock-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. |
| Additional Information |
| BISAC Categories: - Science | Chemistry - Physical & Theoretical |
| Dewey: 541.28 |
| LCCN: 99058318 |
| Series: Wiley Theoretical Chemistry |
| Physical Information: 1.27" H x 6.16" W x 9.36" (1.82 lbs) 512 pages |
| Descriptions, Reviews, Etc. |
| Publisher Description: 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. (09/00) |
