Computational Methods for Large Molecules and Localized States in Solids

Herman, F., Et Al, Eds.

ISBN 10: 0306307162 / ISBN 13: 9780306307164

Edité par Springer, 1973

A propos de cet article

Used book that is in almost brand-new condition.

N° de réf. du vendeur 52287344-6

Détails bibliographiques

• Titre: Computational Methods for Large Molecules and Localized States in Solids
• Éditeur: Springer
• Date de parution: 1973
• Langue: anglais
• ISBN à 10 chiffres: 0306307162
• ISBN à 13 chiffres: 9780306307164
• Reliure: Couverture rigide
• Édition: 1st Edition.
• État de l'article: As New

A propos de ce titre

Synopsis

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.