Articles liés à Orbital Polarization in Relativistic Density Functional...

Orbital Polarization in Relativistic Density Functional Theory: Spin and Orbital Magnetism - Couverture souple

Sargolzaei, Mahdi

 
9783838373454: Orbital Polarization in Relativistic Density Functional Theory: Spin and Orbital Magnetism
Couverture souple
ISBN 10 : 3838373456 ISBN 13 : 9783838373454
Editeur : LAP LAMBERT Academic Publishing, 2010

Synopsis

The description of orbital magnetism by means of modern density functional approaches is considerably less advanced than the evaluation of spin-related magnetic properties. A frequently practiced cure for orbital magnetism are empirical orbital corrections. In the simplest and mostly used version a term proportional to the square of the angular momentum expectation value is added to the exchange and correlation energy for each atom . There is, hitherto, no systematic derivation of the OP corrections from density functional theory. Such a derivation will be given in this book in the framework of the current density functional theory based on the Kohn-Sham-Dirac equation that provides a natural route to orbital magnetism. Related orbital polarization energies of 3d and 4f ions are evaluated.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2010
Langue
anglais
ISBN 10 
3838373456
ISBN 13 
9783838373454
Reliure
Broché
Nombre de pages
120
Coordonnées du fabricant
non disponible
Personne responsable
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