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Semi-Conducteurs I-VII: Concepts et calculs by Latifa Tairi, Yousra Megdoud, Abdelghani Lakel

Semi-Conducteurs I-VII: Concepts et calculs

by Latifa Tairi , Yousra Megdoud , Abdelghani Lakel
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Book cover type: Paperback
  • ISBN13: 9786209263804
  • Binding: Paperback
  • Subject: N/A
  • Publisher: Editions Universitaires Europeennes
  • Publisher Imprint: Editions Universitaires Europeennes
  • Publication Date:
  • Pages: 60
  • Original Price: GBP 38.19
  • Language: French
  • Edition: N/A
  • Item Weight: 96 grams
  • BISAC Subject(s): Chemistry / Physical & Theoretical

Les m�thodes quantiques qui sont qualifi�es d'ab initio ne requi�rent pas la connaissance exp�rimentale ou pr�alable du syst�me consid�r� et les param�tres ajust�s aux r�sultats exp�rimentaux ne sont pas utilis�s. Donc les m�thodes ab initio cherchent � pr�dire les propri�t�s des mat�riaux par la r�solution des �quations de la m�canique quantique, sans utiliser de variables ajustables. Les lois de la m�canique quantique et la seule connaissance de l'esp�ce chimique des atomes consid�r�s permettent de calculer en principe toute observable physique. Les calculs sont g�n�ralement plus complexes que les m�thodes semi-empiriques et n�cessitent de gros moyens informatiques. Les calculs ab initio proviennent, soit des m�thodes de Hartree-Fock (ou post-Hartree-Fock) utilisant la fonction d'onde pour d�crire le syst�me quantique, soit de celles de la th�orie de la fonctionnelle de la densit� qui utilise la densit� �lectronique.

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