Lectures On Methods Of Electronic Structure Calculations - Proceedings Of The Miniworkshop On "Methods Of Electronic Structure Calculations" And Working Group On "Disordered Alloys"

Inbunden, Engelska, 1995

AvKUMAR V,Ole Krogh Andersen,V Kumar,Abhijit Mookerjee

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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.

Produktinformation

Utgivningsdatum1995-02-01
FormatInbunden
SpråkEngelska
Antal sidor396
FörlagWorld Scientific Publishing Co Pte Ltd
ISBN9789810214852

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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.