Attosecond imaging and control of correlated electron dynamics in molecules
Final Report Abstract
Understanding dynamical processes often relies on our ability to resolve them in time. Advances in generating controlled few-cycle laser pulses and novel ultrashort XUV/Xray sources, from free electron laser (FEL)-based to attosecond high harmonic generation (HHG)-based, have opened completely new avenues for imaging electronic and nuclear dynamics in molecules, with applications in physics, chemistry and biology. The access to attosecond time scale may allow us to uncover the role of electron correlations in processes such as ultrafast charge migration, multiple ionization and autoionization in molecules, and address new fundamental questions about the role of attosecond coherent electron dynamics in chemical reactivity. In this project we have studied electronic and coupled electronic-nuclear dynamics in molecules at the attosecond to femtosecond time-scale, developing concepts and theoretical tools for interpreting new generation of ultrafast time-resolved experiments. We have developed a set of comprehensive theoretical approaches and tools for time-resolving and controlling (i) autoionization in the presence of ultra-fast vibrational motion, (ii) attosecond hole dynamics in molecules upon ionization, and (iii) coupled electron-nuclear dynamics during non-adiabatic transitions, with emphasis on the role of electronic coherence created prior or during the transition.
Publications
- The role of the Kramers–Henneberger atom in the higher-order Kerr effect, New Journal of Physics 15 (2013) 083012 (14pp)
Maria Richter, Serguei Patchkovskii, Felipe Morales, Olga Smirnova and Misha Ivanov
(See online at https://doi.org/10.1088/1367-2630/15/8/083012) - An R-matrix approach to electron–photon–molecule collisions: photoelectron angular distributions from aligned molecules, J. Phys. B: At. Mol. Opt. Phys. 47 (2014) 215005 (12pp)
Alex G Harvey, Danilo S Brambila, Felipe Morales and Olga Smirnova
(See online at https://doi.org/10.1088/0953-4075/47/21/215005) - Control and identification of strong field dissociative channels in CO2+ via molecular Alignment, J. Phys. B: At. Mol. Opt. Phys. 47 (2014) 124025 (11pp)
M Oppermann, S J Weber, F Morales, M Richter, S Patchkovskii, A Csehi, A. Vibok, M Ivanov, O. Smirnova and J. P. Marangos
(See online at https://doi.org/10.1088/0953-4075/47/12/124025) - High harmonic spectroscopy of electron localization in the hydrogen molecular ion, J. Phys. B: At. Mol. Opt. Phys. 47 (2014) 204015 (7pp)
Felipe Morales, Paula Rivière, Maria Richter, Azat Gubaydullin, Misha Ivanov, Olga Smirnova and Fernando Martín
(See online at https://doi.org/10.1088/0953-4075/47/20/204015) - Time reconstruction of harmonic emission in molecules near the ionization threshold, J. Phys. B: At. Mol. Opt. Phys. Fast Track Communication, 47 (2014) 241001 (7pp)
P Riviére, F Morales, M Richter, L Medisauskas, O Smirnova and F Martín
(See online at https://doi.org/10.1088/0953-4075/47/24/241001) - Calculated photoionization cross sections using Quantemol-N, Japanese Journal of Applied Physics 54, 06GA02 (2015)
Will J. Brigg, Alex G. Harvey, Anna Dzarasova, Sebastian Mohr, Danilo S. Brambila, Felipe Morales, Olga Smirnova, and Jonathan Tennyson
(See online at https://doi.org/10.7567/JJAP.54.06GA02) - Signatures of attosecond electronic–nuclear dynamics in the one photon ionization of molecular hydrogen: analytical model versus ab initio calculations, New J. Phys. 17 (2015) 053011
Lukas Medišauskas, Felipe Morales, Alicia Palacios, Alberto González-Castrillo, Lev Plimak, Olga Smirnova, Fernando Martín and Misha Yu Ivanov
(See online at https://doi.org/10.1088/1367-2630/17/5/053011) - Sub-laser-cycle control of coupled electron–nuclear dynamics at a conical intersection, New J. Phys. 17 (2015) 113023
Maria Richter, Foudhil Bouakline, Jesús González-Vázquez, Lara Martínez-Fernández, Inés Corral, Serguei Patchkovskii, Felipe Morales, Misha Ivanov Fernando Martín and Olga Smirnova
(See online at https://doi.org/10.1088/1367-2630/17/11/113023) - The role of multichannel effects in the photoionization of the NO2 molecule: an ab initio R- matrix study, J. Phys. B: At. Mol. Opt. Phys. 48 245101, 2015
Danilo S Brambila, Alex G Harvey, Zdeněk Mašín, Jimena D Gorfinkiel and Olga Smirnova
(See online at https://doi.org/10.1088/0953-4075/48/24/245101)
