Methods of Electronic–Structure Calculations – From Molecules to Solids : From Molecules to Solids
Book Details
Format
Hardback or Cased Book
Book Series
Wiley Series in Theoretical Chemistry
ISBN-10
0471979759
ISBN-13
9780471979753
Publisher
John Wiley & Sons Inc
Imprint
John Wiley & Sons Inc
Country of Manufacture
GB
Country of Publication
GB
Publication Date
May 30th, 2000
Print length
516 Pages
Weight
822 grams
Dimensions
23.70 x 15.90 x 3.50 cms
Ksh 57,750.00
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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.
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.
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