Lectures on methods of electronic structure calculations : proceedings of the Miniworkshop on "Methods of Electronic Structure Calculations" and working group on "Disordered Alloys", ICTP, Trieste, Italy, 10 August-4 September, 1992
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Bibliographic Information
Lectures on methods of electronic structure calculations : proceedings of the Miniworkshop on "Methods of Electronic Structure Calculations" and working group on "Disordered Alloys", ICTP, Trieste, Italy, 10 August-4 September, 1992
World Scientific, c1994
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Note
Includes bibliographical references
Description and Table of Contents
Description
Developments in the density functional theory and the methods of electronic structure calculations have made it possible to carry out ab-initio studies of a variety of materials efficiently and at a predictable level. This book covers many of those state-of-the-art developments and their applications to ordered and disordered materials, surfaces and interfaces and clusters, etc.
Table of Contents
- Density functional theory - many body effects without tears, M.P. Das
- density functional theory beyond LDA, U. von Barth
- tight binding LMTO, O.K. Andersen
- metal-semiconductor interfaces, G.P. Das
- solving electronic structure problems with the recursion method, R. Haydock
- real space electronic structure calculation using the recursion method, P. Vargus
- pseudopotentials, G.B. Bachelet
- ab-initio molecular-dynamics - the Car-Parrinello method, G. Pastore
- Car-Parrinello molecular dynamics and the Vanderbilt's ultrasoft pseudopotentials, K. Laasonen
- atomic and electronic structure of clusters from Car-Parrinello method, V. Kumar
- self-consistent Green's function method for random alloys and their surfaces, J. Kudrnovsky et al
- the augmented space and electronic structure of random binary alloys, A. Mookerjee
- magnetism and compositional order in transitional metal alloys, J.B. Staunton et al
- KKR approach to random alloys, R. Prasad.
by "Nielsen BookData"
