INFN - LABORATORI NAZIONALI DI FRASCATI

SEMINAR
 
 

Thursday, February 20th h. 11.30 

B-1 Room
 
 
 
 

P. Krueger (ESRF Grenoble)
 
 
 
 

Multichannel multiple scattering theory for X-ray absorption 
spectroscopy of strongly-correlated systems
 
 
 
 

Abstract





We report recent progress in the development of a new  computational method for X-ray absorption spectroscopy of d- and f- electron systems. The method combines eigenchannel R-matrix and multiple scattering formalisms. It enables us to take account of atomic multiplet-like
electron correlation effects in condensed systems,  on the basis of ab initio electron structure calculations. In this speech I will present the formalism and first results on the X-ray absorption at the L2,3 edge of Ca metal, where the spectral shape, and in particular the branching ratio, deviates strongly from that obtained in single-particle theory.
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

 


 


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MCD, 19/5/2000   updated 11/2/2003