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Non-physical consequences of the Muffin-...
Amusia, M. Ya....

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Non-physical consequences of the Muffin-tin-type intra-molecular potential by Amusia, M. Ya. ( Author )
Lemonjar Open Access
N.A
11-05-2009
We demonstrate using a simple model that in the frame of muffin-tin - like potential non-physical peculiarities appear in molecular photoionization cross-sections that are a consequence of jumps in the potential and its first derivative at some radius. The magnitude of non-physical effects is of the same order as the physical oscillations in the cross-section of a two-atomic molecule. The role of the size of these jumps is illustrated by choosing three values of it. The results obtained are connected to the studied previously effect of non-analytical behavior as a function of r the potential V(r)acting upon a particle on its photoionization cross-section. In reality, such potential has to be analytic in magnitude and first derivative function in distance. Introduction of non-analytic features in model potential leads to non-physical features in the corresponding cross-section - oscillations, additional maxima etc.
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Article
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36.88 KB
English
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MYR 0.00
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https://arxiv.org/abs/0905.1529
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