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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

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…

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

We present numerical studies of the transport dynamics of a charged soliton in conjugated polymers under the influence of an external time-dependent electric field. All relevant electron-phonon and electron-electron interactions are nearly…

Strongly Correlated Electrons · Physics 2009-09-29 Haibo Ma , Ulrich Schollwoeck

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…

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

Charge migration (CM) is a coherent attosecond process that involves the movement of localized holes across a molecule. To determine the relationship between a molecule's structure and the CM dynamics it exhibits, we perform systematic…

Short-in-time, broad-in-energy attosecond or few-femtosecond pulses can excite coherent superpositions of several electronic states in molecules. This results in ultrafast charge oscillations known as charge migration. A key open question…

Chemical Physics · Physics 2025-09-12 Lina Fransén , Sandra Gomez , Morgane Vacher

Technological advancements in generation of ultrafast and intense laser pulses have enabled the real-time observation and control of charge migration in molecules on their natural timescale, which ranges from few femtoseconds to several…

Optics · Physics 2025-02-25 Sucharita Giri

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

We investigate the attosecond response of the electronic cloud of a molecular system to an outer-valence ionization. The time needed for the remaining electrons to respond to a sudden perturbation in the electronic structure of the molecule…

Chemical Physics · Physics 2022-06-22 K. Chordiya , V. Despré , M. U. Kahaly , A. I. Kuleff

Under certain conditions, the ionization of a molecule may create a superposition of electronic states, leading to ultrafast electron dynamics. If controlled, this motion could be used in attochemistry applications, but it has been shown…

Chemical Physics · Physics 2024-09-26 Alan Scheidegger , Nikolay V. Golubev , Jiří Vaníček

The emergence of confined structures and pattern formation are exceptional manifestations of concurring nonlinear interactions found in a variety of physical, chemical and biological systems[1]. Optical solitons are a hallmark of extreme…

Optics · Physics 2020-01-29 Felix Kurtz , Claus Ropers , Georg Herink

Photo-ionization induced ultrafast electron dynamics is considered as a precursor to the slower nuclear dynamics associated with molecular dissociation. Here, using ab initio multielectron wave-packet propagation method, we study the…

Chemical Physics · Physics 2022-11-30 K. Chordiya , V. Despré , B. Nagyillés , F. Zeller , Z. Diveki , A. I. Kuleff , M. U. Kahaly

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

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

To elucidate different photoinduced melting dynamics of charge orders observed in quasi-two-dimensional organic conductors $ \theta $-(BEDT-TTF)$_2$RbZn(SCN)$_4$ and $ \alpha $-(BEDT-TTF)$_2$I$_3$…

Strongly Correlated Electrons · Physics 2010-03-11 Satoshi Miyashita , Yasuhiro Tanaka , Shinichiro Iwai , Kenji Yonemitsu

Charge transfer is a fundamental phenomenon in biology and chemistry, and involves the movement of charge through a system driven by nuclear dynamics. Because of the involvement of nuclear motion, it is generally assumed that charge…

Chemical Physics · Physics 2024-08-27 Simon P. Neville , Martha Yaghoubi Jouybari , Michael S. Schuurman

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
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