Wavelength dispersive X-ray spectra with fine structures in the PIXE and PI
XE-induced XRF spectra have been proved to be very much useful for chemical
specification of condensed matters. The fine structures have been reproduc
ed theoretically by introducing molecular orbital calculations, the shake-o
ff and resonant orbital rearrangement (ROR) processes, together with the di
rect Coulomb interaction between projectiles and target atoms, and the self
-absorption of emitted X-rays through the targets. Comparison between obser
ved and theoretical spectra is given here for F and S atoms. (C) 1999 Elsev
ier Science B.V. All rights reserved.