Lectures On Methods Of Electronic Structure Calculations - Proceedings Of The Miniworkshop On "Methods Of Electronic Structure Calculations" And Working Group On "Disordered Alloys"
Will be published approx. on 1. February 1995
Book
Hardback
396 pages
978-981-02-1485-2 (ISBN)
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.
More details
Language
English
Place of publication
Singapore
Singapore
Target group
College/higher education
Professional and scholarly
Product notice
sewn/stitched
Cloth over boards
ISBN-13
978-981-02-1485-2 (9789810214852)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Persons
Content
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.