Berlin 2001 – scientific programme
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MO: Molekülphysik
MO 5: Clusters II: Non-Metal Clusters, Fullerenes, Nano-tubes (joint session A and MO)
MO 5.7: Talk
Tuesday, April 3, 2001, 17:15–17:30, H1012
High energy photoionization of C60 — •Himadri Chakraborty, M.E. Madjet, and Jan-Michael Rost — MPIPKS, Noethnitzer Strasse 38, D-01187, Dresden, Germany
Oscillations in the high energy valence photo cross sections for solid as well as gas phase C60 are recently observed through photoelectron-photoion coincidence measurements. This oscillatory behavior of the cross section originates from the interference of electron waves emanated from definite equivalent sites, instead of from “everywhereNo-dq of the system, because of the quasi-free character of the de-localized electrons inside the hollow spherical structure of the molecule. We calculate the cross section for the valence HOMO and HOMO-1 photoelectrons of C60 upto 1 KeV photon energy in the effective independent particle model by describing the ground state via the local-density approximation with and without correcting for electron self-interactions. Further, the self-consistent Hartree-Fock calculation, that is entirely free from self-interactions, has also been performed. All the calculations agree well with each other and their Fourier transforms identify the frequencies in the cross section. The self interaction error is found largely unimportant, since a fast enough electron is only emitted from the edges and, therefore, does not quite sense whether or not the long-range behavior of the bound state wavefunction is physical. Branching ratio of the HOMO and HOMO-1 cross sections is found in good accord with the corresponding measurements.
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