Related papers: Ultrafast dynamics in the vicinity of quantum ligh…
Nonadiabaticity, i.e., the effect of mixing electronic states by nuclear motion, is a central phenomenon in molecular science. The strongest nonadiabatic effects arise due to the presence of conical intersections of electronic energy…
The exchange of energy between electronic and nuclear motion is the origin of non-adiabaticity and plays an important role in many molecular phenomena and processes. Conical intersections (CIs) of different electronic potential energy…
Coherent control experiments in molecules are often done with shaped laser fields. The electric field is described classically and control over the time evolution of the system is achieved by shaping the laser pulses in the time or…
The interaction of a molecule with the quantized electromagnetic field of a nano-cavity gives rise to light-induced conical intersections between polaritonic potential energy surfaces. We demonstrate for a realistic model of a polyatomic…
In this paper, we investigate coherent control of nonadiabatic dynamics at a conical intersection (CI) using engineered ultrafast laser pulses. Within a model vibronic system, we tailor pulse chirp and temporal profile and compute the…
Conical intersections are ubiquitous in polyatomic molecules and responsible for a wide range of phenomena in chemistry and physics. We introduce and implement a local diabatic representation for the correlated electron-nuclear dynamics…
Conical intersections are crossing points or lines between two or more adiabatic electronic potential energy surfaces in the multi-dimensional coordinate space of colliding atoms and molecules. Conical intersections and corresponding…
Nonadiabatic effects are ubiquitous in physics, chemistry and biology. They are strongly amplified by conical intersections (CIs) which are degeneracies between electronic states of triatomic or larger molecules. A few years ago it has been…
We present a framework for simulating relaxation dynamics through a conical intersection of an open quantum system that combines methods to approximate the motion of degrees of freedom with disparate time and energy scales. In the vicinity…
The nonadiabatic dynamic of the electromagnetic field triggers photons generation from the quantum vacuum. Shortcuts to adiabaticity, instead, are protocols that mimic the field's adiabatic dynamic in a finite time. Here, we show how the…
Light-induced nonadiabatic effects can arise from the interaction of a molecule with the quantized electromagnetic field of a Fabry--P\'erot or plasmonic nanocavity. In this context, the quantized radiation field mixes the vibrational,…
We study the avoided crossings in the dynamics of quantum controlled excitations for an interacting two-boson system in an optical lattice. Specifically, we perform numerical simulations of quantum control in this system where driving…
Adequate simulation of non-adiabatic dynamics through conical intersection requires account for a non-trivial geometric phase (GP) emerging in electronic and nuclear wave-functions in the adiabatic representation. Popular mixed…
The ultrafast non-radiative relaxation of a molecular ensemble coupled to a cavity mode is considered theoretically and by real-time quantum dynamics. For equal coupling strength of single molecules to the cavity mode, the non-radiative…
Nonadiabatic quantum interferences emerge whenever nuclear wavefunctions in different electronic states meet and interact in a nonadiabatic region. In this work, we analyze how nonadiabatic quantum interferences translate in the context of…
Conical intersections (CIs) are seen as the main mediators of nonadiabatic transitions; yet, mixed quantum-classical (MQC) simulations rarely, if ever, sample geometries with exactly degenerate electronic energies. Here we show that this…
The quantum photodynamics of a simple diatomic molecule with a permanent dipole immersed within an optical cavity containing a quantized radiation field is studied in detail. The chosen molecule under study, lithium fluoride (LiF), is…
Molecular polaritons within the mid-infrared regime have emerged as a source for modifying and manipulating molecular and photonic properties. However, the development of new methodologies for photon generation is still a challenge in…
Single atom cavity quantum electrodynamics grants access to nonclassical photon statistics, while electromagnetically induced transparency exhibits a dark state of long coherence time. The combination of the two produces a new light field…
A fundamental theoretical framework is formulated for the investigation of rovibronic spectra resulting from the coupling of molecules to one mode of the radiation field in an optical cavity. The approach involves the computation of (1)…