Orbital Polarization in Relativistic Density Functional Theory

Language: English

Published by LAP LAMBERT Academic Publishing Jun 2010, 2010

3838373456 / 9783838373454

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This item is printed on demand - Print on Demand Titel. Neuware -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.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 120 pp. Englisch.

Seller Inventory # 9783838373454

Title
Orbital Polarization in Relativistic Density Functional Theory
Author
Mahdi Sargolzaei
Publisher
LAP LAMBERT Academic Publishing Jun 2010
Publication year
2010
Condition
Neu
Binding
Taschenbuch
Language
English
ISBN 10
3838373456
ISBN 13
9783838373454
Item weight
197 grams
Dimensions
220x150x8 mm

buchversandmimpf2000

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