Quantum Mechanical Cluster Calculations In Solid State Studies

Inbunden, Engelska, 1992

AvGRIMES R W,Richard C A Catlow,Robin W Grimes,A L Shluger,Richard C. a. Catlow,Robin W. Grimes

3 339 kr

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This review volume takes an indepth look at the current research done in this important area of solid state science. Although the emphasis is on modelling the properties of definite materials, perfect crystal lattices are also considered in some detail. It is noteworthy that the review articles are written by some of the best known experts in the field.

Produktinformation

Utgivningsdatum1992-04-01
FormatInbunden
SpråkEngelska
Antal sidor480
FörlagWorld Scientific Publishing Co Pte Ltd
ISBN9789810207502

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Hartree-Fock methodology in solid state theory, I.V. Aberenkov and I.M. Antanova; the green function method in the modelling of the scanning tunnel microscope, V.L. Bulatov and A.K. Kazansky; adsorption and reactions at surfaces, E.A. Colboum; how to tell a defect about the bulk; a survey of embedding methods, A.J. Fisher; theory of defects and defect processes in silicon dioxide and the silicon-silicon dioxide interface, W.B. Fowler; anionic polarizability in halides and calcogenides, P.W. Fowler and P. Tole; a comparison of quantum cluster and simulation methodologies for studying defects in insulating solids, R.W. Grimes and C.R.A. Catlow; on the calculation of defect Gibbs energies from ionic crystals, P.W. Jacobs; short-range polarization in insulators, G.D. Mahan; ab-initio Hartree-Fock perturbed-cluster treatment of local defects in crystals - application to carbon impurities in silicon, C. Pisani et al; nonlinear optical constants in alkali halide crystals, K.R. Subbaswamy; theory of scanning tunnelling and microscopy and spectroscopy based in the local density functional approach, M. Tsukada et al; embedded quantum cluster simulation of point defects and electronic band structures of ionic crystals, J.M. Vail et al; and others.

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