A toolkit for semiclassical computations for strongly-driven molecules: frustrated ionization of H$_{2}$ driven by elliptical laser fields

We study the formation of highly excited neutral atoms during the break-up of strongly-driven molecules. Past work on this significant phenomenon has shown that during the formation of highly excited neutral atoms ($mathrm{H^{*}}$) during the break-up of H$_{2}$ in a linear laser field the electron that escapes does so either very quickly or after remaining bound for a few periods of the laser field. Here, we address the electron-nuclear dynamics in $mathrm{H^{*}}$ formation in elliptical laser fields, through Coulomb explosion. We show that with increasing ellipticity two-electron effects are effectively switched-off. We perform these studies using a toolkit we have developed for semiclassical computations for strongly-driven multi-center molecules. This toolkit includes the formulation of the probabilities of strong-field phenomena in a transparent way. This allows us to identify the shortcomings of currently used initial phase space distributions for the electronic degrees of freedom. In addition, it includes a 3-dimensional method for time-propagation that fully accounts for the Coulomb singularity. This technique has been previously developed in the context of celestial mechanics and we currently adopt it to strongly-driven systems. Moreover, we allow for tunneling during the time-propagation. We find that this is necessary in order to accurately describe the fragmentation of strongly-driven molecules.

Multiple electron trapping in the fragmentation of strongly driven molecules

We present a theoretical quasiclassical study of the formation, during Coulomb explosion, of two highly excited neutral H atoms (double H$^{*}$) of strongly driven H$_2$. In this process, after the laser field is turned off each electron occupies a Rydberg state of an H atom. We show that two-electron effects are important in order to correctly account for double H$^{*}$ formation. We find that the route to forming two H$^{*}$ atoms is similar to pathway B that was identified in Phys. Rev. A {bf 85} 011402 (R) as one of the two routes leading to single H$^{*}$ formation. However, instead of one ionization step being frustrated as is the case for pathway B, both ionization steps are frustrated in double H$^{*}$ formation. Moreover, we compute the screened nuclear charge that drives the explosion of the nuclei during double H$^{*}$ formation.

Entanglement trapping in a non-stationary structured reservoir

We study a single two-level atom interacting with a reservoir of modes defined by a reservoir structure function with a frequency gap. Using the pseudomodes technique, we derive the main features of a trapping state formed in the weak coupling regime. Utilising different entanglement measures we show that strong correlations and entanglement between the atom and the modes are in existence when this state is formed. Furthermore, an unexpected feature for the reservoir is revealed. In the long time limit and for weak coupling the reservoir spectrum is not constant in time.

Generation of entanglement density within a reservoir

We study a single two-level atom interacting with a reservoir of modes defined by its reservoir structure function. Within this framework we are able to define a density of entanglement involving a continuum of reservoir modes. The density of entanglement is derived for a system with a single excitation by taking a limit of the global entanglement. Utilizing the density of entanglement we quantify the entanglement between the atom and the modes, and also between the reservoir modes themselves.