Cross sections and asymmetry parameters in gas-phase photoionization of C60

F. A. Gianturco and R. R. Lucchese
Phys. Rev. A 64, 032706 – Published 13 August 2001
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Abstract

Calculations are carried out on the photoionization of C60 molecules in the gas phase, in particular, the photoionization of its highest occupied molecular orbital leading to the formation of C60+ in the 2Hu state. The computational treatment employs the undistorted orbitals of the neutral molecule and solves the coupled scattering equations for the ejected electron in the field of the molecular ion by using the correct static-exchange interaction within a polyatomic Schwinger variational method with Padé corrections. 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 resonances of the outgoing electron and are very reminiscent of those predicted for electron-scattering processes from neutral C60. The physical implications of this result are analyzed and discussed.

  • Received 21 February 2001

DOI:https://doi.org/10.1103/PhysRevA.64.032706

©2001 American Physical Society

Authors & Affiliations

F. A. Gianturco

  • Department of Chemistry, The University of Rome, Cittá Universitaria, 00185 Rome, Italy

R. R. Lucchese

  • Department of Chemistry, Texas A&M University, College Station, Texas 77843-3255

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Vol. 64, Iss. 3 — September 2001

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