Felipe Zapata Abellán holds a PhD in Theoretical Chemistry from Sorbonne Université, France (2019). After his postdoctoral stay at Lund University, Sweden (2019-2022), his current research is focused on molecular core-level photoionization timedelays explored by two-photon interferometric techniques.
Host University: Universidad Autónoma de Madrid, Spain
Host research group or department: Departamento de Química - CampuS
Co-host University: Stockholm University, Sweden
Secondment institution: Dipartimento di Scienze Chimiche e Farmaceutiche (Università di Trieste)
Advisor: Prof. Fernando Martín García
Co-advisor: Prof. Eva Lindroth
Secondment mentor: Prof. Piero Decleva
My research
RTDmol - Relativistic Time-Delays in molecules
Molecular Photoionization Times-Delays (MPTDs) from the highest occupied molecular orbitals (HOMO) exhibit a complex emission angle dependence in the molecular frame, reflecting the anisotropy of the molecular potential. In this regard, the interpretation of the HOMO-level MPTDs becomes a true challenge. In order to bypass this difficulty, attention has recently focused on the exploration of core-level MPTDs. In contrast to HOMO-level MPTDs, atom-resolved information about the potential and the geometry of the molecule may be extracted from core-level MPTDs. From a theoretical point of view, the correct description of core-level MPTDs obtained with a RABBIT (Reconstruction of Attosecond Beating By Interference of two-photon Transitions) setup requires the simulation of a two-photon process above the ionization threshold within a relativistic treatment of the electron dynamics. Unfortunately, such advanced treatment is rare in attosecond physics. As a result, the investigation of core-level MPTDs is largely limited to simple molecules. In this sense, a systematic study of complex molecules (where the relativistic effects cannot be neglected) is not feasible. In order to overcome this important limitation, the present project (RTDmol) proposes the application of a relativistic methodology (previously implemented in heavy atoms by the applicant) to molecular systems in combination with the exploitation of state-of-the-art methods already developed by the host supervisor (Prof. Fernando Martín) and the co-supervisor (Prof. Eva Lindroth). As a main result, RTDmol will proportionate an accurate description of RABBIT core-level MPTDs in complex molecules. In addition, the relativistic treatment of the core-level transitions proposed by RTDmol will open the possibility of resolving electronic dynamic processes in the time domain and locally inside complex molecules, being of particular interest for users of Free Electron Laser (FEL) facilities such as the European XFEL.
Date started – Date End
01.01.2024 - 31.12.2025
