Theoretical study of the valence and core photoemission spectra of C-60

Citation
P. Colavita et al., Theoretical study of the valence and core photoemission spectra of C-60, PHYS CHEM P, 3(20), 2001, pp. 4481-4487
Citations number
46
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN journal
14639076 → ACNP
Volume
3
Issue
20
Year of publication
2001
Pages
4481 - 4487
Database
ISI
SICI code
1463-9076(2001)3:20<4481:TSOTVA>2.0.ZU;2-Z
Abstract
The photoionization cross section and angular distribution relative to all primary ionizations in have been C-60 computed employing a convergent one-c entre expansion and an LDA hamiltonian over an extended energy range. The r esults show the presence of very sharp shape resonances both in the valence and core spectra. Good agreement is obtained with available experimental d ata, notably the HOMO/HOMO-1 oscillations, the absolute total photoabsorpti on and the available photoionization spectra, suggesting that more structur e should be observable in the low energy region.