Více-elektronové rozpadové procesy v polyatomárních systémech
| Název práce v češtině: | Více-elektronové rozpadové procesy v polyatomárních systémech |
|---|---|
| Název v anglickém jazyce: | Multi-electron decay processes in polyatomic systems |
| Klíčová slova: | metastabilní stavy|rezonance|Augerův efekt|meziatomární Coulombický rozpad |
| Klíčová slova anglicky: | metastable states|resonances|Auger effect|interatomic Coulombic decay |
| Akademický rok vypsání: | 2024/2025 |
| Typ práce: | disertační práce |
| Jazyk práce: | |
| Ústav: | Ústav teoretické fyziky (32-UTF) |
| Vedoucí / školitel: | doc. RNDr. Přemysl Kolorenč, Ph.D. |
| Řešitel: |
| Zásady pro vypracování |
| The goal of the project is to investigate theoretically the decay processes involving more than two electrons, such as double Auger decay. The primary focus will be on ab initio calculations of the electronic decay widths of metastable states in atomic and molecular systems and branching ratios for the double decay channels using the Fano-ADC(2,2) method developed by the supervisor. Attention will also be paid to the nuclear dynamics accompanying electronic decay and its impact on the efficiency of the multi-electron decay processes. |
| Seznam odborné literatury |
| [1] Jochen Schirmer. Many-Body Methods for Atoms, Molecules and Clusters. Springer, 2018.
[2] Fabien Gatti (editor). Molecular Quantum Dynamics. Springer, 2014. [3] Přemysl Kolorenč and Vitali Averbukh. Fano-ADC(2,2) method for electronic decay rates. J. Chem. Phys. 152, 214107 (2020). [4] Přemysl Kolorenč et al. Collective relaxation processes in atoms, molecules and clusters. J. Phys. B 49, 082001 (2016). [5] Till Jahnke et al. Interatomic and intermolecular Coulombic decay. Chem. Rev. 120, 11295 (2020) |
| Předběžná náplň práce v anglickém jazyce |
| Two-electron relaxation processes following inner-shell ionization of matter, such as the Auger effect or interatomic Coulombic decay, are known to play an essential role in biological damage inflicted by radiation. Relevant mechanisms comprise acceleration of the photo-dissociation or production of reactive, secondary particles. Recent experiments suggest that even higher-order relaxation processes involving multi-electron transitions might reach surprisingly high intensities, both in molecules and weakly bound clusters. These hitherto little-investigated mechanisms thus might also significantly affect the response of matter to radiation.
The project objective is a thorough theoretical study of multi-electron decay processes to characterize conditions under which these mechanisms contribute substantially to the relaxation of metastable states in polyatomic systems. The student will gain experience with code development, ab initio quantum-chemical methods and simulations of nuclear dynamics in molecules. Eligible candidates should have a strong background in nonrelativistic quantum mechanics and good programming skills. |