Photoionization of the Xe atom and Xe@C60 molecule
Department of PhysicsClark Atlanta University, Atlanta, 30314
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Received in final form: 26 October 2011
Published online: 1 December 2011
Photoionization of the Xe atom and Xe@C60 molecule have been studied using the random phase approximation with exchange (RPAE) method. The Xe atom was described by relaxed orbitals including overlap integrals. The C60 fullerene has been represented by an attractive short range spherical well with potential V(r), given by V(r) = −V0 for ri < r < ro, otherwise V(r) = 0 where ri and ro are respectively, the inner and outer radii of the spherical shell. The time independent Schrödinger equation was solved using both regular and irregular solutions and the continuous boundary conditions at ri and ro. The results demonstrate improvement to previous calculations for both the Xe atom and Xe@C60 molecule and compare very well with the recent experimental data.
© EDP Sciences, Società Italiana di Fisica and Springer-Verlag 2011