Related papers: Dissociating diatomic molecules in ultrafast and i…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…
We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to…
The ionization dynamics of a hydrogen molecule, serving as a fundamental benchmark in quantum chemistry, is investigated within a comprehensive framework combining quantum electrodynamics and the Lindblad master equation. This approach…
Recently it has been recognized that electronic conical intersections in molecular systems can be induced by laser light even in diatomics. As is known a direct consequence of these accidental degeneracies is the appearence of nonadiabatic…
Dissipation, the irreversible loss of energy and coherence, from a microsystem, is the result of coupling to a much larger macrosystem (or reservoir) which is so large that one has no chance of keeping track of all of its degrees of…
In this work we report ab initio calculations for the $H_2^+$ molecule interacting with ultrashort intense laser pulses. We analyse several observables that can, in principle, be available experimentally, in order to get a deeper…
The heating of trapped ions due to the interaction with a {\it quantized environment} is studied {\it without performing the Born-Markov approximation}. A generalized master equation local in time is derived and a novel theoretical approach…
The ultrafast quantum dynamics of photophysical processes in complex molecules is an extremely challenging computational problem with a wide variety of fascinating applications in quantum chemistry and biology. Inspired by recent…
We propose a novel general approximation to transform and simplify the description of a complex fully-quantized system describing the interacting light and matter. The method has some similarities to the time-dependent Born-Oppenheimer…
Harnessing the interaction between light and matter at the quantum level has been a central theme in atomic physics and quantum optics, with applications from quantum computation to quantum metrology. Combining complex interactions with…
The rotating-wave approximation to light-matter interactions is widely used in the quantum electrodynamics Hamiltonian; however, its validity has long been a matter of debate. In this article, we explore the impact of the rotating-wave…
We propose a strategy for enabling photodissociation of a normally photostable molecule through coupling to a nanoparticle plasmon. The large possible coupling on the single-molecule level combined with the highly lossy nature of plasmonic…
Here, a dichotomy of particles and waves is employed in a quantum Monte Carlo calculation of interacting electrons. Through the creation and propagation of concurrent stochastic ensembles of walkers in physical space and in Hilbert space…
The desire to understand the interaction between light and matter has stimulated centuries of research, leading to technological achievements that have shaped our world. One contemporary frontier of research into light-matter interaction…
We revisit the interaction of a first-quantized atomic system (consisting of two charged quantum particles) with the quantum electromagnetic field, pointing out the subtleties related to the gauge nature of electromagnetism and the effect…
We introduce a theoretical approach to study the quantum-dissipative dynamics of electronic excitations in macromolecules, which enables to perform calculations in large systems and cover long time intervals. All the parameters of the…
The exact factorization of the time-dependent electron-nuclear wavefunction has been employed successfully in the field of quantum molecular dynamics simulations for interpreting and simulating light-induced ultrafast processes. In this…
Quantum gases of atoms and molecules in optical cavities offer a formidable laboratory for studying the out-of-equilibrium dynamics of open quantum systems with long-range interactions. Long-range interactions are here mediated by multiple…
In this paper, we provide a rigorous quantum mechanical derivation for the coherent photon transport characteristics of a two-level atom coupled to a waveguide without linearizing the coupling coefficient between the light and the atom. We…
Strong field photoemission and electron recollision provide a viable route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal resolution. However, since an {\em ab-initio} treatment of even the…