1 research outputs found
Diffuse versus square-well confining potentials in modelling @C atoms
Attention: this version- of the manuscript differs from its previously
uploaded version- (arXiv:1112.6158v1) and subsequently published in 2012 J.
Phys. B \textbf{45} 105102 only by a removed typo in Eq.(2) of version-;
there was the erroneous factor "2" in both terms in the right-hand-side of the
Eq.(2) of version-. Now that the typo is removed, Eq.(2) is correct.
A perceived advantage for the replacement of a discontinuous square-well
pseudo-potential, which is often used by various researchers as an
approximation to the actual C cage potential in calculations of
endohedral atoms @C, by a more realistic diffuse potential is
explored. The photoionization of endohedral H@C and Xe@C is
chosen as the case study. The diffuse potential is modelled by a combination of
two Woods-Saxon potentials. It is demonstrated that photoionization spectra of
@C atoms are largely insensitive to the degree of diffuseness
of the potential borders, in a reasonably broad range of 's.
Alternatively, these spectra are found to be insensitive to discontinuity of
the square-well potential either. Both potentials result in practically
identical calculated spectra. New numerical values for the set of square-well
parameters, which lead to a better agreement between experimental and
theoretical data for @C spectra, are recommended for future studies.Comment: 11 pages, 4 figure