Könyv Computational Methods for Large Molecules and Localized States in Solids F. Herman

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

Szerző: F. Herman
Nyelv: Angol
Kötés: Puha kötésű
Elérhetőség: Beszállítói készleten
Küldés 5-8 napon belül
39 570 Ft
During the past few years, there has been dramatic progress in theoretical and computational studies...

Információk a könyvről

Szerző
Nyelv
Angol
Kötés
Könyv - Puha kötésű
Kiadva
2012
oldal
396
EAN
9781468420159
ISBN
1468420151
Enbook ID
06797522
Súly
780
Méretek
178 x 254 x 23

Teljes leírás

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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