Variational MonteCarlo and Diffusion MonteCarlo calculations have been carried out for cations like Li$^+$, Na$^+$ and K$^+$ as dopants of small helium clusters over a range of cluster sizes up to about 12 solvent atoms. The interaction has been modelled through a sum-of-potential picture that disregards higher order effects beyond atom-atom and atom-ion contributions. The latter were obtained from highly correlated ab-initio calculations over a broad range of interatomic distances. This study focuses on two of the most striking features of the microsolvation in a quantum solvent of a cationic dopant: electrostriction and snowball effects. They are here discussed in detail and in relation with the nanoscopic properties of the interaction fo...
Author Institution: Institute of Experimental Physics, Graz University of Technology; Petersgasse 16...
International audienceAb initio calculations are used to construct an analytical many-body potential...
International audienceWe present theoretical studies of helium droplets and films doped with one ele...
Variational Monte Carlo and diffusion Monte Carlo calculations have been carried out for cations suc...
Variational Monte Carlo and diffusion Monte Carlo calculations have been carried out for cations suc...
The dynamics following the photoionization of neutral Rb and Cs atoms residing in a dimple at the su...
11 pags., 8 figs., 3 tabs.We report the results of a detailed theoretical investigation of small K2 ...
11 pags., 13 figs.Solvation of Cs+ ions inside helium droplets has been investigated both experiment...
Diffusion Monte Carlo calculations are carried out for clusters of OH−1+ with N 4He atoms, N varying...
9 pags., 7 figs., 1 tab. -- Open Access funded by Creative Commons Atribution Licence 3.0. -- This...
Quantum Calculations of binding energies and spatial distributions are carried out using Diffusion M...
A novel analysis of final walkers distributions from quantum Diffusion Monte Carlo calculations is p...
Alkwin Slenczka and Bretislav Friedrich provide insight into their joint project on solvation and cl...
We report ground state energies and structural properties for small helium clusters (4He) containing...
13 pags., 6 figs. -- This article belongs to the Special Issue Intermolecular Forces: From Atoms and...
Author Institution: Institute of Experimental Physics, Graz University of Technology; Petersgasse 16...
International audienceAb initio calculations are used to construct an analytical many-body potential...
International audienceWe present theoretical studies of helium droplets and films doped with one ele...
Variational Monte Carlo and diffusion Monte Carlo calculations have been carried out for cations suc...
Variational Monte Carlo and diffusion Monte Carlo calculations have been carried out for cations suc...
The dynamics following the photoionization of neutral Rb and Cs atoms residing in a dimple at the su...
11 pags., 8 figs., 3 tabs.We report the results of a detailed theoretical investigation of small K2 ...
11 pags., 13 figs.Solvation of Cs+ ions inside helium droplets has been investigated both experiment...
Diffusion Monte Carlo calculations are carried out for clusters of OH−1+ with N 4He atoms, N varying...
9 pags., 7 figs., 1 tab. -- Open Access funded by Creative Commons Atribution Licence 3.0. -- This...
Quantum Calculations of binding energies and spatial distributions are carried out using Diffusion M...
A novel analysis of final walkers distributions from quantum Diffusion Monte Carlo calculations is p...
Alkwin Slenczka and Bretislav Friedrich provide insight into their joint project on solvation and cl...
We report ground state energies and structural properties for small helium clusters (4He) containing...
13 pags., 6 figs. -- This article belongs to the Special Issue Intermolecular Forces: From Atoms and...
Author Institution: Institute of Experimental Physics, Graz University of Technology; Petersgasse 16...
International audienceAb initio calculations are used to construct an analytical many-body potential...
International audienceWe present theoretical studies of helium droplets and films doped with one ele...