Methods of Electronic-structure Calculations
From Molecules to Solids
By (author) Michael Springborg
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Methods of Electronic-structure Calculations by Michael Springborg
Book DescriptionMethods of Electronic-Structure Calculations From Molecules to Solids Michael Springborg Department of Chemistry, University of Konstanz, Germany 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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Book DetailsISBN: 9780471979753
(229mm x 161mm x 33mm)
Imprint: John Wiley & Sons Ltd
Publisher: John Wiley and Sons Ltd
Publish Date: 30-May-2000
Country of Publication: United Kingdom
Books By Author Michael Springborg
Metallic Chains / Chains of Metals, Hardback (November 2006)
Describes different types of chain systems. This book places emphasis on illustrating the special phenomena that occur in such quasi-one-dimensional systems, and how theoretical and experimental efforts have been used in identifying those properties that are specific for one-dimensional systems from those of quasi-one-dimensional systems.
Methods of Electronic-structure Calculations, Paperback (May 2000)
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.
Density Functional Methods in Chemistry and Materials Science, Hardback (August 1997)» View all books by Michael Springborg
Used in materials science, physical chemistry and physics, density functional methods provide a unifying description of electronic properties applicable to all materials while also giving specific information on the system under study.
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