Seminář atomové fyziky
podzim 2021

Proběhlé semináře:

14. října 2021

Nonlocal vibronic model for vibrational excitation of CO2 by slow electrons

Mgr. Jan Dvořák

Ústav teoretické fyziky

21. října 2021

Vibrational excitation of CO2 by slow electron, experimental and theoretical results

Mgr. Jan Dvořák

Ústav teoretické fyziky

28. října 2021

Státní svátek

seminář se nekoná

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4. listopadu 2021

Multi-photon ionization and RABITT in molecules

Dr. Jakub Benda

Ústav teoretické fyziky

18. listopadu 2021

Building a polarization-consistent R-matrix model

Dr. Thomas Meltzer

Ústav teoretické fyziky

25. listopadu 2021

Electron Ping Pong: Manipulation with electrons by Photoinduced Electron Transfer

Dr. Tomáš Slanina

ÚOChB

Electronically excited molecules have simultaneously higher reduction and oxidation potential which enables to transfer electrons between partners that would not otherwise react in the ground state. The formed charge-separated state is often metastable and a back electron transfer often leads to its rapid quenching. If a photoinduced electron transfer is coupled with a fast follow-up process that stabilizes the formed radical ions, the charge-separated state becomes thermodynamically stable.We find methods to stabilize charge separation in mixtures of organic molecules that are capable of single- and double-electron redox processes and investigate the mechanisms of photoinduced redox processes.

2. december 2021

Analysis of electronic states across ensembles of nuclear configurations

Marin Sapunar

The nuclear ensemble approach is the method of choice for simulating spectroscopic observables based on mixed quantum-classical simulations. The method provides good estimates for many spectral features while naturally including all nuclear degrees of freedom and contributions from any number of electronic states which then sum to give the full spectrum. A major drawback of this approach is the difficulty of analyzing individual contributions to the spectra. A practical solution to this problem is suggested based on using the overlaps of electronic wave functions at different nuclear configurations to track changes in the electronic configuration across the ensemble. This allows for an accurate black-box decomposition of spectra in terms of diabatic contributions and a state specific analysis of solvation and other effects for any number of excited states of any type. This procedure has been applied to the study of UV spectra of different molecules in the gas phase and in the aqueous environment and of time-resolved photoelectron spectra.

9. prosince 2021

Metastable isotope of Thorium, nuclear system with atomic energy.

Martin Čížek

Institute of Theoretical Physics

Th229 is the only nucleus with known metastable state with energy in eV range above ground state. It is considered for atomic clock application. I will discuss its potential to transmit its nuclear energy to neigboring atoms and molecules.

16. prosince 2021

Brain inspired approaches in quantum physics.

Jana Menšíková

student participant

Artificial neural networks have proven to be a useful tool for solving various spin systems. In this work, we are focusing on J1J2 model and finding its energy ground state and other properties using different types of neural networks.

6. ledna 2022

Photoionization of small water molecular clusters.

Pavel Šklíba

student participant

Molecular clusters and their properties received a lot of attention in recent years. In our work, we developed the simple independent molecule model (IMM) of cluster photoionization, applied it on various small water clusters and compared the results with recent experiments. Now we aim to combine the multiple scattering and R-matrix methods to verify the hypotheses resulting from the experiments and their comparison to the IMM.