Diffuse versus square-well confining potentials in modelling $A$@C$_{60}$ atoms
Abstract
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.
Keywords
Cite
@article{arxiv.1112.6158,
title = {Diffuse versus square-well confining potentials in modelling $A$@C$_{60}$ atoms},
author = {V. K. Dolmatov and J. L. King and J. C. Oglesby},
journal= {arXiv preprint arXiv:1112.6158},
year = {2015}
}
Comments
11 pages, 4 figures