Atomic and Molecular Clusters
The non-radiative electron-relaxation dynamics in C$_{60}$ molecule is studied after selective initial photoexcitations. The methodology includes nonadibabtic molecular simulation combined with time-dependent density functional theory (DFT)…
Light-induced energy confinement in nanoclusters via plasmon excitations influences applications in nanophotonics, photocatalysis, and the design of controlled slow electron sources. The resonant decay of these excitations through the…
We study the dynamics of avalanche ionization of pure helium nanodroplets activated by a weak extreme-ultraviolet (XUV) pulse and driven by an intense near-infrared (NIR) pulse. In addition to a transient enhancement of ignition of a…
A theoretical study on the high-harmonic generation (HHG) in solids by a synthesized driver field is carried out. The vector potential of the driver field is instrumental in determining the Bloch oscillations of the electrons in a periodic…
The time development of the excitation energy of molecules and clusters cooling by emission of thermal vibrational infrared radiation has been studied. The energy distributions and the photon emission rates develop into near-universal…
Complete dissociation dynamics of low energy electron attachment to nitrogen dioxide around 8.5 eV resonance has been studied using a velocity map imaging (VMI) spectrometer. Besides the three prominent resonant peaks at around 1.4 eV, 3.1…
We analyze two-particle binding factors for the case of \ch{H2} molecule with the help of our original Exact Diagonalization \textit{Ab Intio} (EDABI) approach. Explicitly, we redefine the many-particle covalency and ionicity factors as a…
We demonstrate that a four-boson limit-cycle independent of the Efimov one appears in Hamiltonian systems at the unitary limit. The model interaction contains two-, three- and four-body short-range potentials, which disentangle the…
We present a study of the potential energy surface (PES) of anthracene, tetracene and pentacene clusters with up to 30 molecules. We have applied the basin-hopping Monte Carlo (BHMC) algorithm to clusters of acene molecules in order to find…
We investigate the depletion of single-electron states in small molecules under the influence of very short XUV pulses. In N$_2$, for a certain window of XUV energies around 50 eV, we observe a marked occupation inversion, i.e. a situation…
We present a simple simulation model for analysing magnetic and frictional losses of magnetic nano-particles in viscous fluids subject to alternating magnetic fields. Assuming a particle size below the single-domain limit, we use a…
We demonstrate that the model of zero-range potentials can be successfully employed for the description of attached electrons in atomic and molecular anions, for example, negatively charged carbon clusters. To illustrate the capability of…
The effect of thermal shape fluctuations on the recurrent fluorescence of boron cluster cations, B$_N^+$ ($N=9-14$), has been investigated numerically, with a special emphasis on B$_{13}^+$. For this cluster, the electronic structures of…
Atmospheric aerosol nucleation contributes to more than half of cloud condensation nuclei globally. The emissions, properties and concentrations of atmospheric aerosols or aerosol precursors could respond significantly to climate change.…
Long-range coherence and correlations between electrons in solids are the cornerstones for developing future quantum materials and devices. In 1954, Dicke described correlated spontaneous emission from closely packed quantum emitters,…
The quantum theory of atoms in molecules, QTAIM, is employed to identify AIM and quantify their interactions through the partitioning of molecule into atomic basins in the real space and it is confined only to the purely electronic systems…
The International Atomic Energy Agency (IAEA) stopping power database is a highly valued public resource compiling most of the experimental measurements published over nearly a century. The database-accessible to the global scientific…
We have explored the light induced dynamics in superfluid helium nanodroplets with wide-angle scattering in a pump-probe measurement scheme. The droplets are doped with xenon atoms to facilitate the ignition of a nanoplasma through…
An electron diffraction diagnostics of substrate-free clusters formed in N2-Kr binary jets expanding through a supersonic nozzle into vacuum was carried out. Gas mixtures contained 0.5, 1, and 6 mol.% krypton, the measured average sizes of…
We measured spectral distribution of absolute differential cross section of both ordinary and polarization bremsstrahlung for 0.3-1.0 keV electrons scattered on atoms and substrate-free nanoclusters of xenon. Clusters were produced in a…