Kvantová dynamika mezičásticového Coulombického elektronového záchytu

• Thesis title in Czech: Kvantová dynamika mezičásticového Coulombického elektronového záchytu
• Thesis title in English: Full quantum dynamics of the interparticle Coulombic electron capture
• Academic year of topic announcement: 2022/2023
• Thesis type: dissertation
• Thesis language: čeština
• Department: Institute of Theoretical Physics (32-UTF)
• Supervisor: doc. RNDr. Přemysl Kolorenč, Ph.D.
• Author: hidden - assigned and confirmed by the Study Dept.
• Date of registration: 07.09.2023
• Date of assignment: 07.09.2023
• Confirmed by Study dept. on: 27.09.2023

Guidelines

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.

References

[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.