Confining diffuse potential versus square-well-potential in modeling A@C60 atoms

Physics – Atomic Physics

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6 pages, 4 figures

Scientific paper

It is shown that discontinuity, inherit to a square-well potential which is often used for mimicking the C60 cage potential, results neither in qualitative nor, what is even more important, quantitative artifacts in problems of endohedral A@C60 atoms, such as their photoionization. Moreover, it is demonstrated that, upon mimicking a square-well potential by a potential with diffuse boarders, calculated photoionization spectra are largely insensitive to the degree {\eta} of diffuseness of the potential boarders, in a reasonably broad range of {\eta}'s. The proof is based on results of comparison between calculated data for H@C60 and Xe@C60 photoionization cross sections and photoelectron angular asymmetries obtained by modeling the C$_{60}$ cage by confining square-well and diffuse potentials. Thus, it matters little which of these potentials to use in A@C60 problems. The diffuse potential is modeled by a combination of two Woods-Saxon potentials. Calculated data for the photoionization of Xe@C60 are separately detailed as well, since they are important stand-alone qualities.

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