Abstract
We present a method based on multiple-scattering to determine elastic cross sections for electron collisions with molecular clusters. The method is based on the calculation of accurate collisional information for the molecules constituting the cluster that is then combined to obtain a cross section for interaction with the whole system. The method provides a computationally cost-effective way of treating low energy electron scattering from (homogeneous and heterogeneous) molecular clusters and aggregates. Results for (H2O) n (n = 2,5) and (HCOOH)2 are presented; the cross sections agree well with more accurate ab initio data.
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Notes
- 1.
0 has the same dimensions.
- 2.
Those for l > l c are set to zero.
- 3.
A quick inspection of the MS equations shows that as n increases, it is only the the size of the matrices to be multiplied that increases approximately as n 2. In an ab initio calculation, the number of integrals to be calculated, for example, grows much faster.
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Acknowledgements
The work on the multiple-scattering treatment of electron collisions with small molecular cluster was initiated in collaboration with L Caron, D Bouchiha and L Sanche. We are indebted to them for their contributions to the development and testing of this technique and for their encouragement. This work was supported by the EPSRC.
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Gorfinkiel, J.D., Caprasecca, S. (2012). A Multiple-Scattering Approach to Electron Collisions with Small Molecular Clusters. In: García Gómez-Tejedor, G., Fuss, M. (eds) Radiation Damage in Biomolecular Systems. Biological and Medical Physics, Biomedical Engineering. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-2564-5_7
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