The electronic-structural calculations of the properties of specific materials have become increasingly important since the 1970s. This book focuses equally on the different computational methods in relation to traditional quantum chemistry and solid-state physics. Series: Wiley Series in Theoretical Chemistry. Num Pages: 516 pages, Ill. BIC Classification: PDE; PHFC; PNRP. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 229 x 161 x 33. Weight in Grams: 834. . 2000. 1st. Hardcover. . . . . Seller Inventory # V9780471979753

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Bibliographic Details

Title: Methods of Electronic-Structure Calculations...

Publisher: John Wiley & Sons Inc

Publication Date: 2000

Binding: Hardcover

Condition: New

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.

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