Computational methods for large systems electronic structure approaches for biotechnology and nanotechnology /

"While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure t...

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Bibliografische gegevens
Coauteur: ebrary, Inc
Andere auteurs: Reimers, Jeffrey R.
Formaat: Elektronisch E-boek
Taal:Engels
Gepubliceerd in: Hoboken, N.J. : Wiley, 2011.
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Online toegang:An electronic book accessible through the World Wide Web; click to view
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Inhoudsopgave:
  • A. DFT : the basic workhorse
  • B. Higher-accuracy methods
  • C. More-economical methods
  • D. Advanced applications.