Related papers: An Exact Factorization Perspective on Quantum Inte…
We investigate how disorder affects adiabaticity in an interacting quantum system by assessing its effect on the state of the system after an interaction modulation, or interaction ``pulse" ,whereby the interaction is changed from zero to a…
Ballistic particles interacting with irregular surfaces are representative of many physical problems in the Knudsen diffusion regime. In this paper, the collisions of ballistic particles interacting with an irregular surface modeled by a…
A realistic microscopically-based quantum approach to the competition between fusion and quasi-fission in a heavy fusing system is applied to several reactions leading to $^{256}$No. Fusion and quasi-fission are described in terms of a…
In this work we obtain analytical expressions for the non-additivity effects in the dispersive interaction between two atoms and perfectly conducting surface of arbitrary shape in the non-retarded regime. We show that this three bodies…
We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are…
We consider non-adiabatic transitions in multiple dimensions, which occur when the Born-Oppenheimer approximation breaks down. We present a general, multi-dimensional algorithm which can be used to accurately and efficiently compute the…
Nonadiabatic corrections in molecules composed of a few atoms are considered. It is demonstrated that a systematic perturbative expansion around the adiabatic solution is possible, with the expansion parameter being the electron-nucleus…
Dynamical symmetries are of considerable importance in elucidating the complex behaviour of strongly interacting systems with many degrees of freedom. Paradigmatic examples are cooperative phenomena as they arise in phase transitions, where…
Quantum effects of plasmonic phenomena have been explored through ab-initio studies, but only for exceedingly small metallic nanostructures, leaving most experimentally relevant structures too large to handle. We propose instead an…
We introduce a novel computational framework for excited-states molecular quantum dynamics simulations driven by quantum computing-based electronic-structure calculations. This framework leverages the fewest-switches surface-hopping method…
Electron transfer is an important and fundamental process in chemistry, biology and physics, and has received significant attention in recent years. Perhaps one of the most intriguing questions concerns with the realization of the…
Periodically driven systems have emerged as a useful technique to engineer the properties of quantum systems, and are in the process of being developed into a standard toolbox for quantum simulation. An outstanding challenge that leaves…
Non-adiabatic chemical reactions involving continuous circularly polarized light (cw CPL) have not attracted as much attention as dynamics in unpolarized/linearly polarized light. However, including circularly (in contrast to linearly)…
It was recently shown that the exact factorization of the electron-nuclear wavefunction allows the construction of a Schr\"odinger equation for the electronic system, in which the potential contains exactly the effect of coupling to the…
We study light-mediated interactions between spatially separated molecules using real-time quantum electrodynamical time-dependent density functional theory based on the Pauli-Fierz Hamiltonian. An ultrashort delta-kick excitation…
We derive an accurate molecular orbital based expression for the coherent time evolution of a two-electron wave function in a quantum dot molecule where the electrons interact with each other, with external time dependent electromagnetic…
The observation that concepts from quantum information has generated many alternative indicators of quantum phase transitions hints that quantum phase transitions possess operational significance with respect to the processing of quantum…
The time evolution is studied for the Landau problem with a general time dependent electric field ${\bf E}(t)$ in a plane perpendicular to the magnetic field. A general and explicit factorization of the time evolution operator is derived…
We calculate analytically the exact dynamical response of a droplet of N interacting electrons in a quantum dot with an arbitrarily time-dependent parabolic confinement potential \omega(t) and a perpendicular magnetic field. We find that,…
The quantum-classical Liouville equation offers a rigorous approach to nonadiabatic quantum dynamics based on surface hopping type trajectories. However, in practice the applicability of this approach has been limited to short times owing…