109 citations · 154 across the 10 of their papers we have counts for
10 papers
Real-time simulation of charge migration within the time-dependent Kohn-Sham DFT
Rajarshi Sinha-Roy, Clément Guiot du Doignon, Evan Munaro-Langloÿs +2
Attosecond technologies provide unique opportunities to study electron dynamics and electron correlation on their intrinsic timescales. From a theoretical perspective, this places…
Role of Metastable Dicationic Intermediates in the Breakup of CH
Samiksha Dehru, Evan Munaro-Langloÿs, Aditya Yadav +8
We investigate the fragmentation dynamics of methane dication (CH) produced in collisions with 50-MeV C ions using the COLTRIMS technique. The method provides compl…
Correlation-Driven Charge Migration Triggered by Infrared Multi-Photon Ionization
Clément Guiot du Doignon, Rajarshi Sinha-Roy, Franck Rabilloud +1
The possibility of observing correlation-driven charge migration has been a driving force behind theoretical and experimental developments in the field of attosecond molecular scie…
Size effect in correlation-driven charge migration in correlation bands of alkyne chains
Enguerran Belles, Franck Rabilloud, Alexander I. Kuleff +1
Correlation-driven charge migration initiated by inner-valence ionization leading to the population of the correlation bands of alkyne chains containing between 4 and 12 carbon ato…
Observation of Nuclear-wavepacket Interference in Ultrafast Inter-atomic Energy Transfer
Meng Han, Jacqueline Fedyk, Jia-Bao Ji +3
We report the experimental observation of quantum interference in the nuclear wave-packet dynamics driving ultrafast excitation-energy transfer in argon dimers below the threshold…
The role of symmetric vibrational modes in the dehoherence of correlation-driven charge migration
J. Vester, V. Despré, A. I. Kuleff
Due to the electron correlation, a fast removal of an electron from a molecule may create a coherent superposition of cationic states and in this way initiate pure electronic dynam…
Distinctive Onset of Electron Correlation in Molecular Tautomers
K. Chordiya, V. Despré, M. U. Kahaly +1
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 sud…
Photo-ionization Initiated Differential Ultrafast Charge Migration: Impact of Molecular Symmetries and Tautomeric Forms
K. Chordiya, V. Despré, B. Nagyillés +4
Photo-ionization induced ultrafast electron dynamics is considered as a precursor to the slower nuclear dynamics associated with molecular dissociation. Here, using ab initio multi…
Correlation-Driven Charge Migration as Initial Step in the Dynamics in Correlation Bands
Victor Despré, Alexander I. Kuleff
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…
Decoherence and Revival in Attosecond Charge Migration Driven by Non-adiabatic Dynamics
Danylo Matselyukh, Victor Despré, Nikolay Golubev +2
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…