M. Venuti et al., Photoionization of C-60 by large scale one-center density functional explicit continuum wave-function, J CHEM PHYS, 111(10), 1999, pp. 4589-4597
The photoionization cross-section and asymmetry parameter profiles relative
to the seven uppermost molecular orbitals of C-60 are calculated by means
of a density functional approach, based on the explicit continuum wave-func
tion within a very large scale one center expansion in a radial B-spline ba
sis set. The convergence with respect to the maximum angular momentum is an
alyzed. Strong giant resonances in the cross-section of individual states a
re found, their occurrence is rationalized on the ground of minimal basis s
et calculations. The asymmetry parameters are as well very structured, also
at higher photon energy than the cross-section profiles. Good agreement be
tween the present calculations and the available experimental data is found
. (C) 1999 American Institute of Physics. [S0021-9606(99)30234-8].