109 citations · 401 across the 19 of their papers we have counts for
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Quantum attomicroscopy: imaging quantum chemistry in action
Nikolay V. Golubev, Mohammed Th. Hassan
How quantum electron and nuclei motions affect biomolecular chemical reactions remains a central challengeable question at the interface of quantum chemistry and biology. Ultrafast…
How to find molecules with long-lasting charge migration?
Alan Scheidegger, Nikolay V. Golubev, Jiří Vaníček
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…
Efficient Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules
Nikolay V. Golubev, Jiří Vaníček
Exposing a molecule to intense light pulses may bring this molecule to a nonstationary quantum state, thus launching correlated dynamics of electronic and nuclear subsystems. Altho…
Search for long lasting electronic coherence using on-the-fly ab initio semiclassical dynamics
Alan Scheidegger, Jiří Vaníček, Nikolay V. Golubev
Using a combination of high-level ab initio electronic structure methods with efficient on-the-fly semiclassical evaluation of nuclear dynamics, we performed a massive scan of smal…
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…
Core-valence attosecond transient absorption spectroscopy of polyatomic molecules
Nikolay V. Golubev, Jiří Vaníček, Alexander I. Kuleff
Tracing ultrafast processes induced by interaction of light with matter is often very challenging. In molecular systems, the initially created electronic coherence becomes damped b…
On-the-fly ab initio semiclassical evaluation of electronic coherences in polyatomic molecules reveals a simple mechanism of decoherence
Nikolay V. Golubev, Tomislav Begušić, Jiří Vaníček
Irradiation of a molecular system by an intense laser field can trigger dynamics of both electronic and nuclear subsystems. The lighter electrons usually move on much faster, attos…
Control of charge migration in molecules by ultrashort laser pulses
Nikolay V. Golubev, Alexander I. Kuleff
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.…