Výpočty fotoelektronových spekter vodních klastrů pomocí metod vícenásobného rozptylu a R-matice
| Thesis title in Czech: | Výpočty fotoelektronových spekter vodních klastrů pomocí metod vícenásobného rozptylu a R-matice |
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| Thesis title in English: | Calculations of photoelectron spectra of water clusters using the multiple scattering and R-matrix methods |
| Academic year of topic announcement: | 2020/2021 |
| Thesis type: | diploma thesis |
| Thesis language: | |
| Department: | Institute of Theoretical Physics (32-UTF) |
| Supervisor: | Mgr. Zdeněk Mašín, Ph.D. |
| Author: | hidden - assigned and confirmed by the Study Dept. |
| Date of registration: | 13.10.2020 |
| Date of assignment: | 13.10.2020 |
| Confirmed by Study dept. on: | 19.11.2020 |
| Guidelines |
| Study the theory of multiple scattering and its application to photoionization of molecular clusters [1]. Derive the equations of multiple scattering theory within the R-matrix theory of photoionization [2]. Apply the theory to calculations of photoelectron spectra of water clusters and compare the results with recent experimental measurements of photoelectron angular distributions [3]. Attempt calculations for small water clusters using the ab initio R-matrix method [4], i.e. without the approximations of the multiple scattering theory. |
| References |
| [1] Dill D., Dehmer J.L., J. Chem. Phys. 61, 692 (1974).
[2] P.G. Burke, R-Matrix Theory of Atomic Collisions: Application to Atomic, Molecular and Optical Processes. Springer, 2011. [3] Hartweg S., Yoder B.L., Garcia G.A., Nahon L., Signorell R., Phys. Rev. Lett. 118, 103402 (2017). [4] Mašín Z., Benda J., Gorfinkiel J.D., Harvey A.G., Tennyson J., Computer Physics Communications, 249, 107092 (2020). |