[Wien] EELS of L3 Ti edge

[Teruyasu Mizoguchi]

Dear WIEN users,

It is impossible to calculate L2,3 edge of TM using LDA and GGA. 
Multiplet, namely electron-electron interaction, must be considered in the calculation.
The first principles calculation of TM-L2,3 ELNES/XANES have been reported in PRB,64(2001)115413.

Best regards,


In message "Re: [Wien] EELS of L3 Ti edge",
Maurits Haverkort wrote...
Thu, 13 Jan 2005 17:11:02 +0100
 >Dear all
 >
 >
 >
 >I do not understand why LDA is able to calculate EELS and XAS L2,3 spectra
 >in the first place.
 >

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Teruyasu Mizoguchi
JSPS Research Fellow

National Center for Electron Microscopy, MS:72-105
Lawrence Berkeley National Laboratory,
One Cyclotron Road, Berkeley, CA 94720, USA

tel:	+1-510-495-2901
fax:	+1-510-486-5888
e-mail:	TMizoguchi at lbl.gov
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