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3d photoionization along the xenon isoelectronic sequence

D Toffoli1, M Stener and P Decleva

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The relativistic time-dependent density functional theory has been applied to 3d photoionization along the Xe isoelectronic sequence, from I to La3+. It is seen that interchannel coupling between the two spin–orbit photoionization channels greatly alters their partial photoionization cross sections. Changes similar to those already observed for the Xe system are seen to affect the I3d5/2 partial cross section. For the elements following the noble gas in the isoelectronic sequence, Rydberg series of autoionization resonances associated with excitations into the closed channels 3d3/2np1/2,3/2; n'f5/2 are seen to strongly modulate the total and partial 3d5/2 cross sections between the two spin–orbit split thresholds. Moreover, the analysis of the transfer of oscillator strength from the continuum to the discrete part of the spectrum along the series has permitted us to follow the occurrence of the collapse of the 4f wavefunction with a 3d hole, which is seen to occur already in Cs+. A global picture emerges from the comparison of 3d and 4d ionization in neutral systems and Xe isoelectronic series.


PACS

32.80.Fb Photoionization of atoms and ions

32.70.Cs Oscillator strengths, lifetimes, transition moments

31.15.E- Density-functional theory

32.80.Zb Autoionization

Subjects

Atomic and molecular physics

Computational physics

Dates

Issue 14 (28 July 2003)

Received 28 April 2003, in final form 6 June 2003

Published 4 July 2003



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