Quantum Zeno-based control mechanism for molecular fragmentation

A quantum control mechanism is proposed for molecular fragmentation processes within a scenario grounded on the quantum Zeno effect. In particular, we focus on the van der Waals Ne-Br$_2$ complex, which displays two competing dissociation channels via vibrational and electronic predissociation. Accordingly, realistic three dimensional wave packet simulations are carried out by using ab initio interaction potentials recently obtained to reproduce available experimental data. Two numerical models to simulate the repeated measurements are reported and analyzed. It is found that the otherwise fast vibrational predissociation is slowed down in favor of the slow electronic (double fragmentation) predissociation, which is enhanced by several orders of magnitude. Based on these theoretical predictions, some hints to experimentalists to confirm their validity are also proposed.Comment: 4 pages, 3 figure

Rotational state-changing collisions between N2+_2^+ and Rb at low energies

We present a theoretical study of rotationally elastic and inelastic collisions between molecular nitrogen ions and Rb atoms in the sub-Kelvin temperature regime prevalent in ion-atom hybrid trapping experiments. The cross sections for rotational excitation and de-excitation collisions were calculated using quantum-scattering methods on ab-initio potential energy surfaces for the energetically lowest singlet electronic channel of the system. We find that the rotationally inelastic collision rates are at least an order of magnitude smaller than the charge-exchange rates found in this system, rendering inelastic processes a minor channel under the conditions of typical hybrid trapping experiments.Comment: 6 pages, 5 figures, Computational study of rotational state changing collision

Investigating transition state resonances in the time domain by means of Bohmian mechanics: The F+HD reaction

In this work, we investigate the existence of transition state resonances on atom-diatom reactive collisions from a time-dependent perspective, stressing the role of quantum trajectories as a tool to analyze this phenomenon. As it is shown, when one focusses on the quantum probability current density, new dynamical information about the reactive process can be extracted. In order to detect the effects of the different rotational populations and their dynamics/coherences, we have considered a reduced two-dimensional dynamics obtained from the evolution of a full three-dimensional quantum time-dependent wave packet associated with a particular angle. This reduction procedure provides us with information about the entanglement between the radial degrees of freedom (r,R) and the angular one (\gamma), which can be considered as describing an environment. The combined approach here proposed has been applied to study the F+HD reaction, for which the FH+D product channel exhibits a resonance-mediated dynamics.Comment: 12 pages, 9 figure

Supersymmetric isospectral formalism for the calculation of near-zero energy states: application to the very weakly bound 4{^4}He trimer excited state

We propose a novel mathematical approach for the calculation of near-zero energy states by solving potentials which are isospectral with the original one. For any potential, families of strictly isospectral potentials (with very different shape) having desirable and adjustable features are generated by supersymmetric isospectral formalism. The near-zero energy Efimov state in the original potential is effectively trapped in the deep well of the isospectral family and facilitates more accurate calculation of the Efimov state. Application to the first excited state in 4He trimer is presented.Comment: accepte

Roadmap on dynamics of molecules and clusters in the gas phase

This roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty order of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity from the smallest (diatomic) molecules to clusters and nanoparticles. Combining some of these techniques opens up new avenues to unravel hitherto unexplored reaction pathways and mechanisms, and to establish their significance in, e.g. radiotherapy and radiation damage on the nanoscale, astrophysics, astrochemistry and atmospheric science