Computational Methods for Large Molecules and Localized States in Solids: Proceedings of a Symposium, Held May 15–17, 1972, at the IBM Research ... California (The IBM Research Symposia Series) - Tapa blanda

 
9781468420159: Computational Methods for Large Molecules and Localized States in Solids: Proceedings of a Symposium, Held May 15–17, 1972, at the IBM Research ... California (The IBM Research Symposia Series)
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ISBN 10: 1468420151 ISBN 13: 9781468420159
Editorial: Springer, 2012

Sinopsis

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.

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Reseña del editor

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.

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Editorial
Springer
Año de publicación
2012
Idioma
Inglés
ISBN 10 
1468420151
ISBN 13 
9781468420159
Encuadernación
Tapa blanda
Número de páginas
412
Editor
Herman F.
Contacto del fabricante
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Otras ediciones populares con el mismo título

9780306307164: Computation Methods for Large Molecules and Localized States in Solids: Proceedings of a Symposium, Held May 15-17, 1972, at the IBM Research ... California (The IBM Research Symposia Series)

Edición Destacada

ISBN 10:  0306307162 ISBN 13:  9780306307164
Editorial: Kluwer Academic/Plenum Publishers, 1973
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