Cross sections and asymmetry parameters in gas-phase photoionization of C-60 - art. no. 032706

Calculations are carried out on the photoionization Of C-60 molecules in th e gas phase, in particular, the photoionization of its highest occupied mol ecular orbital leading to the formation of C-60(+) in the H-2(u) state. The computational treatment employs the undistorted orbitals of the neutral mo lecule and solves the coupled scattering equations for the ejected electron in the field of the molecular ion by using the correct static-exchange int eraction within a polyatomic Schwinger variational method with Pade correct ions. The total cross section and photoelectron angular distributions show marked resonant features from the threshold up to photon energy of about 30 eV. In the present calculations, all resonances are one-electron resonance s of the outgoing electron and are very reminiscent of those predicted for electron-scattering processes from neutral C-60. The physical implications of this result are analyzed and discussed.