Computational Methods for Large Molecules and Localized States in Solids: Proceedings of a Symposium, Held May 15-17, 1972, at the IBM Research Laboratory, San Jose, California

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Publisher	Springer; Softcover reprint of the original 1st ed. 1973 edition
ISBN 13	9781468420159
ISBN 10	1468420151
Author	F. Herman
Book Format	Paperback

Language	English
Book Description	During the past few years, there has been dramatic progress in theoretical and computational studies of large molecules and local ized states in solids. Various semi-empirical and first-principles methods well known in quantum chemistry have been applied with considerable success to ever larger and more complex molecules, including some of biological importance, as well as to selected solid state problems involving localized electronic states. In creasingly, solid state physicists are adopting a molecular point of view in attempting to understand the nature of electronic states associated with (a) isolated structural and chemical defects in solids; (b) surfaces and interfaces; and (c) bulk disordered solids, most notably amorphous semiconductors. Moreover, many concepts and methods already widely used in solid state physics are being adapted to molecular problems. These adaptations include pseudopotentials, statistical exchange approxi mations, muffin-tin model potentials, and multiple scattering and cellular methods. In addition, many new approaches are being de vised to deal with progressively more complex molecular and local ized electronic state problems.
Publication Date	1 August 2012
Number of Pages	412 pages

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