Atomic and Molecular Clusters
We clarify the relationships between the eight structural types of toroidal carbon nanotubes (TCNTs), which can be identified as the eight corners of a cube of structural transformation. The four families with Dnh symmetry can be related by…
We demonstrate the correspondence between theoretically calculated K-shell resonances lying below the K-edge in multiple ionization states of an element (Pradhan et al. 2009), and recently observed K-alpha resonances in high-intensity X-ray…
Single molecule imaging is one of the main target areas of X-ray free electron lasers. It relies on the possibility of orienting the large number of low counting statistics 2D diffraction patterns taken at random orientations of identical…
We estimate the radiative quenching rate of the $^{40}$Ca - $^{174}$Yb$^{+}$ molecular ion and find that it under-estimates the value reported in recent experiments by about 5 orders of magnitude. We comment on possible explanations for…
In this work we investigate small clusters of bosons using the hyperspherical harmonic basis. We consider systems with $A=2,3,4,5,6$ particles interacting through a soft inter-particle potential. In order to make contact with a real system,…
The paper presents the results of the experimental study of polarization bremsstrahlung profile halfwidth performed on free xenon clusters with various atom numbers. We used 0.7- and 0.3-keV electrons to excite mainly the core and the…
The interaction between PTCDA (3,4,9,10-perylene-tetracarboxylic-dianhydride) molecules and solid rare gas samples is studied by means of fluorescence emission spectroscopy. On the one hand, laser-excited PTCDA-doped large argon, neon and…
The interaction between PTCDA (3,4,9,10-perylene-tetracarboxylic-dianhydride) and rare gas or para-hydrogen samples is studied by means of laser-induced fluorescence excitation spectroscopy. The comparison between spectra of PTCDA embedded…
We demonstrate the spatial separation of the prototypical indole(H2O) clusters from the various species present in the supersonic expansion of mixtures of indole and water. The major molecular constituents of the resulting molecular beam…
We have performed systematic large-scale all-electron correlated calculations on boron clusters B$_{n}$(n=2--5), to study their linear optical absorption spectra. Several possible isomers of each cluster were considered, and their…
We discuss in depth the validity and limitations of a theoretical scheme to evaluate photo-electron spectra (PES) through collecting the phase oscillations at a given measuring point. Problems appear if the laser pulse is still active when…
One of the long standing problems in quantum chemistry had been the inability to exploit full spatial and spin symmetry of an electronic Hamiltonian belonging to a non-Abelian point group. Here we present a general technique which can…
The surface composition of charged Lennard-Jones clusters A$_N^{n+}$, composed of N particles (55 \leq N \leq 1169) among which n are positively charged with charge q, thus having a net total charge Q = nq, is investigated by Monte Carlo…
Massively parallel ionization of many atoms in a cluster or bio-molecule is identified as new phenomenon of light-matter interaction which becomes feasible through short and intense FEL pulses. Almost simultaneously emitted from the…
In this work we investigate 1+2 reactions within the framework of the hyperspherical adiabatic expansion method. To this aim two integral relations, derived from the Kohn variational principle, are used. A detailed derivation of these…
We investigate here the fast electron scattering upon endohedral atoms that present a fullerene CN staffed by an atom A, A@CN. We calculate the inelastic scattering cross-section expressing it via generalized oscillator strengths (GOS)…
Coulomb crystallisation of large ensembles of ions has in the past years been intensively studied experimentally with many spectacular results of relevance to infinite systems in one-, two-, and three-dimensions.While strings of a few ions…
Metal cluster ionization potentials are important characteristics of these "artificial atoms," but extracting these quantities from cluster photoabsorption spectra, especially in the presence of thermal smearing, remains a big challenge.…
The first comprehensive high-resolution photoabsorption spectrum of 14N15N has been recorded using the Fourier-transform spectrometer attached to the Desirs beamline at the Soleil synchrotron. Observations are made in the extreme…
The effect of dipolar interaction and local uniaxial anisotropy on the magnetic response of small spin clusters where spins are located on the vertices of icosahedron, cuboctahedron, tetrahedron and square geometry have been investigated.…