Issue 20, 2001

Theoretical study of the valence and core photoemission spectra of C60

Abstract

The photoionization cross section and angular distribution relative to all primary ionizations in C60 have been computed employing a convergent one-centre expansion and an LDA hamiltonian over an extended energy range. The results show the presence of very sharp shape resonances both in the valence and core spectra. Good agreement is obtained with available experimental data, notably the HOMO/HOMO-1 oscillations, the absolute total photoabsorption and the available photoionization spectra, suggesting that more structure should be observable in the low energy region.

Article information

Article type
Paper
Submitted
31 May 2001
Accepted
22 Aug 2001
First published
24 Sep 2001

Phys. Chem. Chem. Phys., 2001,3, 4481-4487

Theoretical study of the valence and core photoemission spectra of C60

P. Colavita, G. De Alti, G. Fronzoni, M. Stener and P. Decleva, Phys. Chem. Chem. Phys., 2001, 3, 4481 DOI: 10.1039/B104761M

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