Nondipolar corrections to the photoelectron angular distributions from C60 have been calculated for the highest occupied molecular orbital (HOMO), HOMO-1, and HOMO-2 photoemission bands. The computational method employed takes advantage of a parallel algorithm that uses a multicentric expansion of bound- and scattering-wave functions and a density-functional theory one-particle Hamiltonian. First-order nondipolar asymmetry parameters have been calculated from thresholds of up to 160 eV of photon energy. Strong oscillations, reminiscent of those found in the ratio of the HOMO and HOMO-1 partial cross sections, have been observed in the nondipolar asymmetry parameters as well. The oscillations have the same period, but a different phase, compared to the ones that characterize the HOMO-HOMO-1 intensity ratio.
Strong Oscillations in the nondipole corrections to the photoelectron angular distributions from C60
DECLEVA, PIETRO
2010-01-01
Abstract
Nondipolar corrections to the photoelectron angular distributions from C60 have been calculated for the highest occupied molecular orbital (HOMO), HOMO-1, and HOMO-2 photoemission bands. The computational method employed takes advantage of a parallel algorithm that uses a multicentric expansion of bound- and scattering-wave functions and a density-functional theory one-particle Hamiltonian. First-order nondipolar asymmetry parameters have been calculated from thresholds of up to 160 eV of photon energy. Strong oscillations, reminiscent of those found in the ratio of the HOMO and HOMO-1 partial cross sections, have been observed in the nondipolar asymmetry parameters as well. The oscillations have the same period, but a different phase, compared to the ones that characterize the HOMO-HOMO-1 intensity ratio.Pubblicazioni consigliate
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