Non-physical consequences of the Muffin-tin-type intra-molecular potential

Details Non-physical consequences of the Muffin-tin-type intra-molecular potential Non-physical consequences of the Muffin-tin-type intra-molecular potential

2009-05-11

arxiv.org/abs/0905.1529v1

Physics

Chemical Physics

11 pages, 5 figures

Scientific paper

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.

Affiliated with

Also associated with

No associations

Rating

Non-physical consequences of the Muffin-tin-type intra-molecular potential does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Non-physical consequences of the Muffin-tin-type intra-molecular potential, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Non-physical consequences of the Muffin-tin-type intra-molecular potential will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-700183