Kvantová dynamika mezičásticového Coulombického elektronového záchytu
| Název práce v češtině: | Kvantová dynamika mezičásticového Coulombického elektronového záchytu |
|---|---|
| Název v anglickém jazyce: | Full quantum dynamics of the interparticle Coulombic electron capture |
| Akademický rok vypsání: | 2022/2023 |
| Typ práce: | disertační práce |
| Jazyk práce: | čeština |
| Ústav: | Ústav teoretické fyziky (32-UTF) |
| Vedoucí / školitel: | doc. RNDr. Přemysl Kolorenč, Ph.D. |
| Řešitel: | skrytý - zadáno a potvrzeno stud. odd. |
| Datum přihlášení: | 07.09.2023 |
| Datum zadání: | 07.09.2023 |
| Datum potvrzení stud. oddělením: | 27.09.2023 |
| Zásady pro vypracování |
| Inter-particle Coulombic electron capture (ICEC) is a recently discovered environment-enabled
electron capture process by means of which a free electron can be efficiently attached to a system (i.e. ion, atom, molecule, or quantum dot). The excess electron attachment energy is simultaneously transferred to a neighbouring system which undergoes ionization. ICEC has been predicted theoretically in van-der-Waals and hydrogen-bonded systems as well as in quantum dot arrays. The theoretical approaches employed in these works range from analytical models to ab-initio electronic structure and dynamical calculations. A common assumption in these approaches is that nuclei remain fixed during ICEC. However, nuclear dynamics should play an important role in changing the efficiency and/or influencing the final state of the system. The aim of the PhD project is, therefore, to develop, implement, and apply original quantum-dynamical methods to provide a complete description of ICEC. |
| Seznam odborné literatury |
| [1] T. Jahnke et al: Interatomic and Intermolecular Coulombic Decay. Chem. Rev., 120, 11295 (2020)
[2] K. Gokhberg, L. S. Cederbaum: Environment-assisted electron capture. J. Phys. B 42, 231001 (2009) [3] N. Sisourat, T. Miteva, J. D. Gorfinkiel, K. Gokhberg, L. S. Cederbaum: Interatomic Coulombic electron capture from first principles. Phys. Rev. A 98, 020701(R) (2018) [4] F. M. Pont, A. Bande, L. S. Cederbaum: Electron-correlation driven capture and release in double quantum dots. J. Phys. Cond. Matter 28, 075301 (2016) [5] H.-D. Meyer, U. Manthe, and L.S. Cederbaum: The multi-configurational time-dependent Hartree approach. Chem. Phys. Lett. 165 (1990), 73. [6] L. Gonzales, R. Lindh (eds.): Quantum Chemistry and Dynamics of Excited States: Methods and Applications. Wiley, 2021. |