Atomic and Molecular Clusters
Helium excimers generated by a corona discharge were investigated in the gas and normal liquid phases of helium as a function of temperature and pressure between 3.8 and 5.0 K and 0.2 and 5.6 bar. Intense fluorescence in the visible region…
A numerically cheap way to obtain structural information about clusters of rare gas atoms at low temperatures is developed. The semiclassical frozen Gaussian imaginary time propagator is extended such that it can account for the mean values…
Correlation between geometry, electronic structure and magnetism of solids is both intriguing and elusive. This is particularly strongly manifested in small clusters, where a vast number of unusual structures appear. Here, we employ density…
Ionization threshold energies of Al$_n$ (n=32-95) nanoclusters are determined by laser ionization of free neutral metal clusters thermalized to several temperatures in the range from 65 K to 230 K. The photoion yield curves of cold clusters…
The near ultraviolet photodissociation dynamics of silver atom rare gas dimers have been studied by velocity map imaging. AgRG (RG = Ar, Kr, Xe) species generated by laser ablation are excited in the region of the C <- X continuum leading…
Structural and electronic properties of ferroelectric columnar clusters constructed from benzene-1,3,5-tricarboxylic acid, (B3CA)n, were investigated at the Hartree-Fock level. It is shown that B3CA stacks form helix-shaped molecular tubes…
We propose a method for quantifying charge-driven instabilities in clusters, based on equilibrium simulations under confinement at constant external pressure. This approach makes no assumptions about the mode of decay and allows different…
We demonstrate a novel experimental implementation to strongly align molecules at full repetition rates of free-electron lasers. We utilized the available in-house laser system at the coherent x-ray imaging beamline at the Linac Coherent…
In-depth analysis of pulsed laser atom probe tomography (APT) data on the field evaporation of the III V semiconductor material GaSb reveals strong variations in charge states, relative abundances of different cluster ions, multiplicity of…
We study the dynamics of atomic and molecular nano-clusters exposed to short and intense X-fel pulses
We demonstrate an efficient control of $^{29}$Si nuclear spin orientation for specific lattice sites near $^{31}$P donors in silicon crystals at temperatures below 1 K and in high magnetic field of 4.6 T. Excitation of the forbidden…
The variational Monte Carlo method is used to evaluate the ground-state energy of the confined hydrogen molecule, H_2. Accordingly, we considered the case of hydrogen molecule confined by a hard prolate spheroidal cavity when the nuclear…
We perform direct large molecular dynamics simulations of homogeneous SPC/E water nucleation, using up to $\sim 4\cdot 10^6$ molecules. Our large system sizes allow us to measure extremely low and accurate nucleation rates, down to $\sim…
Angular resolved electron energy-loss spectroscopy (EELS) gives access to the momentum and the energy dispersion of electronic excitations and allows to explore the transition from individual to collective excitations. Dimensionality and…
Succeeding our previous finding about coherent interference of the resonant states of CO^- formed by the low-energy electron attachment [Phys. Rev. A 88, 012708 (2013)], here we provide more evidences of the coherent interference, in…
Molecular dynamics simulations and free energy calculations were employed to investigate the evolution, formation probability, detailed balance and isomerization rate of small C cluster isomers at 2500 K. For C10, the isomer formation…
Electrons released from clusters through strong Xray pulses show broad kinetic-energy spectra, extending from the atomic excess energy down to the threshold, where usually a strong peak appears. These low-energy electrons are normally…
The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs)…
It is shown that negative ions are ejected from gas-phase water molecules when bombarded with positive ions at keV energies typical of solar-wind velocities. This finding is relevant for studies of planetary and cometary atmospheres, as…
The density matrix equations of motion in near-degenerate three-level V-type closed-loop atomic system are calculated numerically in Floquet frame. The dynamical behavior of atom- photon entanglement between the dressed atom and its…