Atomic and Molecular Clusters
Possible chemical, catalytic, and cosmic roles of charged pentagonal dodecahedral water clusters having "buckyball-like" symmetry are discussed on the basis of electronic and vibronic theory and experiment. The electronic structure in…
Charge transfer in collisions of Na_n^+ cluster ions with Cs atoms is investigated theoretically in the microscopic framework of non-adiabatic quantum molecular dynamics. The competing reaction channels and related processes affecting the…
We present the results of over 90 tight-binding molecular-dynamics simulations of collisions between three- and five-atom silicon clusters, at a system temperature of 2000K. Much the most likely products are found to be two 'magic'…
The stability and structures of Titanium-doped Gold clusters AunTi (n=2-16) are studied under the relativistic all-electron density-functional calculations. It is found that the most stable structures of AunTi clusters with n=2-7 are…
A simulation of an atomic force microscope operating in the constant amplitude dynamic mode is described. The implementation mimics the electronics of a real setup including a digital phase-locked loop (PLL). The PLL is not only used as a…
The starting point is the problem of finding the interaction energy of two coinciding homogeneous cubic charge distributions. The brute force method of subdividing the cube into $N^3$ sub-cubes and doing the sums results in slow convergence…
Inspired by recent experiments on fully spin polarized Na clusters, we perform a systematic survey of neutral Na clusters at all conceivable spin polarizations. We study the impact of spin state on ionic configuration, on global shape, and…
Tremendous advances in laser pump-probe techniques open the door for the observation in real time of ultrafast \textit{electronic} processes. Particularly attractive is the visualization of interatomic processes where one can follow the…
It is shown that the contribution to the induction which at an internal point of a spin density distribution is mathematically described as a local is virtually caused by the summing-up of the fields created by all elements of this…
A unique 1D chain of sodium cluster containing (Na6) rings stabilized by a molybdenum containing metalloligand has been synthesized and characterized. DFT calculations show striking resemblance in their aromatic behaviour with the…
An effusive pyrolysis source is described for generating a continuous beam of radicals under conditions appropriate for the helium droplet pick-up method. Rotationally resolved spectra are reported for the $\nu_1$ vibrational mode of the…
In this paper, electron diffraction and optical methods are used together for the first time to study the problem of phase equilibrium in binary clusters of heavy rare gases. For the argon-xenon system, a new effect of its decay into pure…
A four electrode electrostatic trap geometry is demonstrated that can be used to combine a dipole, quadrupole and hexapole field. A cold packet of 15ND3 molecules is confined in both a purely quadrupolar and hexapolar trapping field and…
Electron-phonon relaxation in size-quantized systems may become inhibited when the spacing of discrete electron energy levels exceeds the magnitude of the phonon frequency. We show, however, that nanoclusters can support a fast nonradiative…
We present results on the scattering lengths of ^4He--^4He_2 and ^3He--^4He_2 collisions. We also study the consequence of varying the coupling constant of the atom-atom interaction.
We discuss the structure of the two- and three-body T-matrices, scattering matrices, and resolvents continued to the unphysical energy sheets. Our conclusions arise due to the representations that have been found for analytically continued…
For the first time, ordered polar molecules confined in monolayer-deep rectangular pits produced on an alkali halide surface by electron irradiation have been resolved at room temperature by non-contact atomic force microscopy. Molecules…
The dynamic characteristics of a tip oscillating in the nc-AFM mode in close vicinity to a Cu(100)-surface are investigated by means of phase variation experiments in the constant amplitude mode. The change of the quality factor upon…
The dynamics and thermodynamics of melting in two-dimensional Coulomb clusters is revisited using molecular dynamics and Monte Carlo simulations. Several parameters are considered, including the Lindemann index, the largest Lyapunov…
An evidence of importance of the T-shaped configuration of coronene dimer is presented. That is, the dimer's lowest energy configuration is not necessarily a stack, as it might had been expected a priori. This is a surprising result for…