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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Orbital Polarization in Relativistic Density Functional Theory

Orbital Polarization in Relativistic Density Functional Theory

Sargolzaei, Mahdi

Paperback

Physics

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ISBN10: 3838373456
ISBN13: 9783838373454
Publisher: Lap Lambert Academic Pub
Published: Jun 23 2010
Pages: 120
Weight: 0.41
Height: 0.28 Width: 6.00 Depth: 9.00
Language: English
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.

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