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Excited States Calculated by Means of the Linear Mu.n-Tin Orbital Method

  • M. Alouani
  • J. M. Wills
Conference paper
Part of the Lecture Notes in Physics book series (LNP, volume 535)

Abstract

The most popular electronic structure method, the linear muffin-tin orbital method (LMTO), in its full-potential (FP) and relativistic forms has been extended to calculate the spectroscopic properties of materials form first principles, i.e, optical spectra, x-ray magnetic circular dichroism (XMCD) and magneto-optical kerr effect (MOKE). The paper describes an overview of the FP-LMTO basis set and the calculation of the momentum matrix elements. Some applications concerning the computation of opticalprop erties of semiconductors and XMCD spectra of transition metalal loys are reviewed.

Keywords

Dielectric Function Local Density Approximation Core Hole Momentum Matrix Element LMTO Method 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 1999

Authors and Affiliations

  • M. Alouani
    • 1
  • J. M. Wills
    • 2
  1. 1.IPCMS, Université Louis PasteurStrasbourgFrance
  2. 2.Los Alamos National LaboratoryLos AlamosUSA

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