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Novel perspectives of controlling molecular systems have recently arisen from the possibility of generating attosecond pulses in the ultraviolet regime and tailoring electron dynamics in its natural time scale. The cornerstone mechanism is…

Optics · Physics 2018-10-30 A. Picón , C. Bostedt , C. Hernández-García , L. Plaja

Four-dimensional imaging of charge migration is crucial to the understanding of several ubiquitous processes in nature. The present work focuses on imaging of charge migration in an oriented epoxypropane: a chiral molecule. A linearly…

Chemical Physics · Physics 2021-11-24 Sucharita Giri , Jean Christophe Tremblay , Gopal Dixit

Sudden ionisation of a relatively large molecule can initiate a correlation-driven process dubbed charge migration, where the electron density distribution is expected to rapidly change. Capturing this few-femtosecond/attosecond charge…

Due to electronic many-body effects, the ionization of a molecule can trigger ultrafast electron dynamics appearing as a migration of the created hole charge throughout the system. Here we propose a scheme for control of the charge…

Chemical Physics · Physics 2015-06-11 Nikolay V. Golubev , Alexander I. Kuleff

Attosecond charge migration is a periodic evolution of the charge density of a molecule on a time scale defined by the energy intervals between the electronic states involved. Here, we report the observation of charge migration in neutral…

Attosecond chemistry involves developing strategies to manipulate electronic coherent waves in molecules, which can influence the outcome of photoinduced reactions. While recent progress in this field calls for investigations of…

Chemical Physics · Physics 2026-04-22 Evan Munaro-Langloÿs , Franck Lépine , Victor Despré

Charge migration is the electronic response that immediately follows localized ionization or excitation in a molecule, before the nuclei have time to move. It typically unfolds on sub-femtosecond time scales and most often corresponds to…

Atomic and Molecular Clusters · Physics 2022-03-07 Francois Mauger , Aderonke Folorunso , Kyle Hamer , Cristel Chandre , Mette Gaarde , Kenneth Lopata , Kenneth Schafer

The development of attosecond technology has enabled the real-time observation of coherent electron motion in atoms, molecules and condensed phases. Experimentally, it is now possible to generate laser pulses of durations of only a few tens…

Chemical Physics · Physics 2017-05-18 David Ayuso

The possibility of observing correlation-driven charge migration has been a driving force behind theoretical and experimental developments in the field of attosecond molecular science since its inception. Despite significant…

Chemical Physics · Physics 2025-08-25 Clément Guiot du Doignon , Rajarshi Sinha-Roy , Franck Rabilloud , Victor Despré

This contribution presents numerical simulations of N-electron dynamics in heterocyclic five-membered ring molecules to shed light on the effect of molecular symmetry on charge migration. Laser-driven dynamics is studied using the hybrid…

Atomic Physics · Physics 2023-08-16 Sucharita Giri , Gopal Dixit , Jean Christophe Tremblay

We explore the novel capabilities offered by attosecond extreme ultraviolet and x-ray pulses that can be now generated by free-electron lasers and high-harmonics generation sources for probing photon-induced electron dynamics in molecules.…

Quantum Physics · Physics 2023-02-15 Marvin Reuner , Daria Popova-Gorelova

Interfaces between molecules and 2D materials exhibit energy-driven functionalities, wherein charge transfer directs molecular motion. Unlike equilibrium systems, where molecular assemblies settle into static configurations, continuous…

How quantum electron and nuclei motions affect biomolecular chemical reactions remains a central challengeable question at the interface of quantum chemistry and biology. Ultrafast charge migration in deoxyribonucleic acid (DNA) has long…

Chemical Physics · Physics 2025-12-30 Nikolay V. Golubev , Mohammed Th. Hassan

Metal-corroles are macrocycle organic molecules with numerous practical applications. In particular, copper corroles exhibit an interesting saddled geometry, which has attracted significant attention from theoreticians and experimentalists…

Chemical Physics · Physics 2022-10-03 Sucharita Giri , Jean Christophe Tremblay , Gopal Dixit

We propose a protocol to probe the ultrafast evolution and dephasing of coherent electronic excitation in molecules in the time domain by the intrinsic streaking field generated by the molecule itself. Coherent electronic motion in the…

We present dynamics calculations showing how electron-correlation-driven charge migration occurring in the correlation band of ionized molecules can lead to a redistribution of the charge increasing the stability of the system. These…

Chemical Physics · Physics 2022-08-31 Victor Despré , Alexander I. Kuleff

The present review addresses the technical advances and the theoretical developments to realize and rationalize attosecond-science experiments that reveal a new dynamical time scale ($10^{-15}$-$10^{-18}$ s), with a particular emphasis on…

Chemical Physics · Physics 2020-02-07 Denitsa Baykusheva , Hans Jakob Wörner

We examine time-resolved X-ray diffraction from molecules in the gas phase which undergo nonadiabatic avoided-crossing dynamics involving strongly coupled electrons and nuclei. Several contributions to the signal are identified,…

Chemical Physics · Physics 2017-05-30 Markus Kowalewski , Kochise Bennett , Shaul Mukamel

We investigate theoretically charge migration following prompt double ionization of a polyatomic molecule (C$_2$H$_4$BrI) and find that for double ionization, correlation-driven charge migration appears to be particularly prominent, i.e.,…

Chemical Physics · Physics 2016-05-24 Maximilian Hollstein , Robin Santra , Daniela Pfannkuche

Electrons in atoms and molecules move on attosecond time scales. Deciphering their quantum dynamics in space and time calls for high-resolution microscopy at this speed. While scanning tunnelling microscopy (STM) driven with terahertz…

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