Deperturbacyjna analiza widm dwuatomowych polarnych molekuł dwuatomowych
Identyfikator grantu: PT00826
Kierownik projektu: Patryk Jasik
Realizatorzy:
- Józef Sienkiewicz
- Tymon Kilich
- Dariusz Kędziera
- Konrad Borawski
Politechnika Gdańska
Wydział Fizyki Technicznej i Matematyki Stosowanej
Gdańsk
Data otwarcia: 2020-05-29
Planowana data zakończenia grantu: 2025-05-29
Streszczenie projektu
Studies of polar alkali dimers provide valuable insight into several basic phenomena, such as perturbations in excited states, potential curve crossings and avoided crossings, photodissociation, photoassociation, and new quantum matter, namely the Bose-Einstein condensate and ultracold two-fermionic species. The development of spectroscopic methods allows for very accurate measurements, providing valuable data for the ground and excited states of these molecules. From the theoretical point of view heteronuclear alkali metal dimers are very attractive objects due to their simple electronic structure and the possibility of treating them as effective two-electron systems with separated atomic cores. Pseudopotential methods with longtail core polarization model potentials are well suited to treat such systems.
In this project, we will consider excited states of the diatomic alkali molecules. Such states are promising candidates for establishing the new paths of creation the ultracold molecules in the deeply bound ground state. We will present the new deperturbation approach based on the n-channel model, in which excited states are connected for example by L-uncoupling terms and/or by SO coupling terms. Using theoretical potential energy curves and couplings calculated in CI TASK as well as the experimentally recorded spectra of excited states, we will be able to determine high accuracy potentials allowing for the investigation of formation dynamics of the ultracold molecules. Final calculations will be performed by means of the sPYtroscopy program package, which will be developed using the CI TASK resources.
In this project, we will consider excited states of the diatomic alkali molecules. Such states are promising candidates for establishing the new paths of creation the ultracold molecules in the deeply bound ground state. We will present the new deperturbation approach based on the n-channel model, in which excited states are connected for example by L-uncoupling terms and/or by SO coupling terms. Using theoretical potential energy curves and couplings calculated in CI TASK as well as the experimentally recorded spectra of excited states, we will be able to determine high accuracy potentials allowing for the investigation of formation dynamics of the ultracold molecules. Final calculations will be performed by means of the sPYtroscopy program package, which will be developed using the CI TASK resources.
Publikacje
- P. Jasik, J. Franz, D. Kędziera, T. Kilich, J. Kozicki, J.E. Sienkiewicz, Spontaneous Electron Emission Versus Dissociation in Internally Hot Silver Dimer Anions, Journal of Chemical Physics 1, (2020) 1
- Patryk Jasik, Tymon Kilich, Jan Kozicki1, Józef E. Sienkiewicz, Deperturbation analysis of the polar alkali diatomic molecules spectra, 1st Annual Workshop of CA18222 COST Action, Virtual meeting 1, (2020) 44
- Patryk Jasik, Jan Kozicki, Tymon Kilich, Józef E. Sienkiewicz, Niels E. Henriksen, Dynamics of rotational predissociation of KLi, 1st Annual Workshop of CA18222 COST Action, Virtual meeting 1, (2020) 61
- Patryk Jasik, Jan Franz, Dariusz Kędziera, Tymon Kilich, Jan Kozicki, and Józef E. Sienkiewicz, Spontaneous electron emission vs dissociation in internally hot silver dimer anions, Journal of Chemical Physics 154, (2021) 164301
- K. Bączek, P. Jasik, T. Kilich, and J.E. Sienkiewicz, Born-Oppenheimer potential energy curves of NaK from the optimised atomic basis sets, Molecular Physics 1, (2021) 1
- Patryk Jasik, Quantum dynamics in systems with weak and strong couplings. The special case of Ag2-, COST Action AttoChem – Working Group 2 Workshop – 17-19.02.2021 1, (2021) 1
- Patryk Jasik, Spontaneous Electron Emission Versus Dissociation in Internally Hot Silver Dimer Anions, 52nd Conference of the European Group on Atomic Systems (EGAS), 06-08.07.2021 1, (2021) 1
- K. Bączek, P. Jasik, T. Kilich, and J.E. Sienkiewicz, Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets, Molecular Physics 120, (2022) 1-8
- Marta Dudek, Anna Kaczmarek-Kędziera, Radosław Deska, Jakub Trojnar, Patryk Jasik, Piotr Młynarz, Marek Samoć, and Katarzyna Matczyszyn, Linear and Nonlinear Optical Properties of Azobenzene Derivatives Modified with an (Amino)naphthalene Moiety, The Journal of Physical Chemistry B 126, (2022) 6063-6073
- Patryk Jasik, Tymon Kilich, Potential Energy Curves of Diatomic Alkali Molecules Datasets, Gdańsk University of Technology Publishing House, ed. Anna Wałek 1, (2022) 226-229
- Patryk Jasik, Spontaneous Electron Emission Versus Dissociation in Internally Hot Silver Dimer Anions, Warsztaty Naukowe FoKA 3, Fotony - Kwanty - Atomy, 11-13.05.2022, Gdańsk 1, (2022) 1
- Janek Kozicki, Patryk Jasik, Tymon Kilich, Józef E. Sienkiewicz, Optimization of the Femtosecond Laser Impulse for Photoassociation and the Power-Law Decay for the Spin-Orbit Mediated Dissociation in the NaRb Dimer, Annual Meeting of the COST Action CA18222, 19-21 September 2022, Prague 1, (2022) 1
- J. Kozicki, P. Jasik, T. Kilich, J.E. Sienkiewicz, Optimization of the femtosecond laser impulse for excitation and the spin-orbit mediated dissociation in the NaRb dimer, J. Quant. Spectrosc. Radiat. Transf. 306, (2023) 108644
- P. Jasik, P. Łobacz, J.E. Sienkiewicz, Potential energy curves, transition and permanent dipole moments of KRb, At. Data Nucl. Data Tables 149, (2023) 101558
- Patryk Jasik, Badania dynamiki procesów fotoindukowanych w cząsteczkach dwuatomowych, 48. Zjazd Fizyków Polskich, 01-07.09.2023, Gdańsk 1, (2023) 1
- Patryk Jasik, Dynamics of Photoinduced Processes in Diatomic Molecules, 3rd mini-Symposium "Interactions", 24-25.11.2023, Toruń 1, (2023) 1
- Dagmara Budnik-Przybylska, Paweł Syty, Maria Kaźmierczak, Jacek Przybylski, Łukasz Doliński, Marta Łabuda, Patryk Jasik, Adrian Kastrau, Selenia di Fronso, Maurizio Bertollo, Psychophysiological strategies for enhancing performance through imagery–skin conductance level analysis in guided vs. self-produced imagery., Scientific Reports 14, (2024) 5197
- Patryk Jasik, Dariusz Kędziera, Józef E. Sienkiewicz, Matrix elements for spin-orbit couplings in KRb, Atomic Data and Nuclear Data Tables 1, (2024) 1
- Patryk Jasik, Femtosecond laser impulse optimization for electronic excitations in the NaRb molecule, 1st Virtual meeting WG2 of COST action CA21101 COSY, 1, (2024) 1
- Patryk Jasik, Janek Kozicki, Dariusz Kędziera, Tymon Kilich, Józef E. Sienkiewicz, Photoinduced quantum dynamics of the KRb multi-coupled electronic states, 5th Attosecond Chemistry Workshop of the COST Action AttoChem, "AttoChem Tenerife 2024" 1, (2024) 1
- Patryk Jasik, From transversal acceleration through the electronic structure of molecules to friendship, Anniversary Symposium of Prof. Józef E. Sienkiewicz, "A celebration of theoretical physics and friendship" 1, (2024) 1
- Justyna Fercho, Julia Zakaszewska, Piotr Fonferek, Katarzyna Konieczna, Hanna Lisowska, Jakub Sadowy, Daria Binerowska, Maciej Pestka, Michalina Dudra, Weronika Jagieło, Klaudia Kokot, Dariusz Szplit, Jacek Szypenbejl, Tomasz Szmuda, Mariusz Siemiński, Patryk Jasik, Zastosowanie metod sztucznej inteligencji w przewidywaniu prawdopodobieństwa wystąpienia tętniaków wewnątrzczaszkowych i ocenie ryzyka ich pęknięcia wspierające podejmowanie decyzji klinicznych, Bałtycki Festiwal Nauki 2024, IB DAY „INŻYNIERIA BIOMEDYCZNA INŻYNIERIĄ PRZYSZŁOŚCI” 1, (2024) 1
- Patryk Jasik, High accuracy photoinduced quantum dynamics of the multi coupled electronic states in the diatomic molecules, 2nd COST COSY General Meeting 1, (2024) 1
- Patryk Jasik, Photoinduced quantum dynamics of the KRb multi-coupled electronic states, 13th IMAMPC 1, (2024) 1