During the last decade, density function theory (DFT) in its static and dynamic time dependent forms, has emerged as a powerful tool to describe the structure and dynamics of doped liquid helium and droplets. In this review, we summarize the activity carried out in this field within the DFT framework since the publication of the previous review article on this subject [M. Barranco et al.,

We have studied the dynamic evolution of a Cs atom photo-excited from 6s to 6p and 7s states on a helium droplet using time-dependent 4 He-DFT simulations. Depending on the excited electronic state, the Cs impurity remains on the droplet surface or it is ejected. Upon subsequent photo-ionization of the excited Cs atom the resulting Cs + cation may either be ejected or come back to the droplet, depending on the time delay between photo-excitation and photo-ionization. We have calculated the critical time delay separating these two different behaviors, as well as final ion velocities. These observables will be used for future comparison with planned pump-probe experiments.

The real-time dynamics of excited alkali metal atoms (Rb) attached to quantum fluid He nanodroplets is investigated using femtosecond imaging spectroscopy and time-dependent density functional theory. We disentangle the competing dynamics of desorption of excited Rb atoms off the He droplet surface and solvation inside the droplet interior as the Rb atom is ionized. For Rb excited to the 5p and 6p states, desorption occurs on starkly differing time scales (∼100 versus ∼1 ps, respectively). The comparison between theory and experiment indicates that desorption proceeds either impulsively (6p) or in a transition regime between impulsive dissociation and complex desorption (5p).

We present a computational study, based on time-dependent Density Functional theory, of the real-time interaction and trapping of Ar and Xe atoms in superfluid He nanodroplets either pure or hosting quantized vortex lines. We investigate the phase-space trajectories of the impurities for different initial conditions and describe in detail the complex dynamics of the droplets during the capture of the impurities. We show that the interaction of the incoming atom with the vortex core induces large bending and twisting excitations of the vortex core lines, including the generation of helical Kelvin waves propagating along the vortex core. We have also calculated the stationary configurations of aHe droplet hosting a 6-vortex array whose cores are filled with Ar atoms. As observed in recent experiments, we find that doping adds substantial rigidity to the system, such that the doped vortex array remains stable, even at low values of the angular velocities where the undoped vortices would otherwise be pushed towards the droplet surface and be expelled.

Snapshot taken at 75 ps of the capture of six Ar atoms hitting a 4He5000 droplet at 100 m s−1.

Doped He nanodroplets are ideal model systems to study the dynamics of elementary photophysical processes in heterogeneous nanosystems. Here we present a combined experimental and theoretical investigation of the formation of free RbHe exciplex molecules from laser-excited Rb-doped He nanodroplets. Upon excitation of a droplet-bound Rb atom to the 5p3/22Π3/2-state, a stable RbHe exciplex forms within about 20 ps. Only due to 2Π3/2 → 2Π1/2 spin-relaxation does the RbHe exciplex detach from the He droplet surface with a half life of about 700 ps, given by the spin-relaxation time and the coupling of spin and translational degrees of freedom.

The economic impact of the port sector is usually measured at an aggregate level by indicators such as value added, employment and investment. This paper tries to define the economic relevance for the regional as well as for the national economy at a disaggregate level. It attempts to identify, quantify and locate the mutual relationships between the various port players themselves and between them and other Belgian industries. Due to a lack of information foreign trade is only tackled very briefly but the method outlined in this paper can be used to measure the national effects of changes in port activity at a detailed level.A sector analysis is made by compiling a regional 1 input-output table, resorting to microeconomic data: a bottom-up approach. The main customers and suppliers of the port's key players or stakeholders are identified. A geographical analysis can also be carried out by using data at a disaggregate level. Each customer or supplier can be located by means of their postcode. In so doing, the economic impact of the port is quantified, both functionally and geographically.In the case of the port of Antwerp, the results show important links between freight forwarders and agents. The geographical analysis suggests the existence of major agglomerating effects in and around the port of Antwerp, referred to as a major transhipment location point.

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