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The IBM Research Symposia Series

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

Editors: Herman, F. (Ed.)

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  • ISBN 978-1-4684-2013-5
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About this book

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.

Table of contents (32 chapters)

Table of contents (32 chapters)

Buy this book

eBook $99.00
price for USA in USD (gross)
  • ISBN 978-1-4684-2013-5
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover $129.00
price for USA in USD
  • ISBN 978-1-4684-2015-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Computational Methods for Large Molecules and Localized States in Solids
Book Subtitle
Proceedings of a Symposium, Held May 15–17, 1972, at the IBM Research Laboratory, San Jose, California
Editors
  • F. Herman
Series Title
The IBM Research Symposia Series
Copyright
1973
Publisher
Springer US
Copyright Holder
Springer Science+Business Media New York
eBook ISBN
978-1-4684-2013-5
DOI
10.1007/978-1-4684-2013-5
Softcover ISBN
978-1-4684-2015-9
Edition Number
1
Number of Pages
XII, 396
Number of Illustrations
3 b/w illustrations
Topics