Kniha Electronic Structure Methods for Complex Materials Wai-Yim Ching

Electronic Structure Methods for Complex Materials

Autor: Wai-Yim Ching
Jazyk: Angličtina
Väzba: Pevná
Dostupnosť: Skladom u dodávateľa
Odosielame za 10-18 dní
191.27
Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is u...

Informácie o knihe

Jazyk
Angličtina
Väzba
Kniha - Pevná
Vydalo
2012
Stránok
326
EAN
9780199575800
ISBN
0199575800
Enbook ID
04473442
Hmotnosť
794
Rozmery
192 x 252 x 23

Kompletný popis

Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.

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