arXiv subjects

F. Sebastianelli

Publications and source records attributed to F. Sebastianelli.

2 recordsLinked to original sources

arXiv2012

Electron-attachment rates for carbon-rich molecules in protoplanetary atmospheres: the role of chemical differences

The formation of anionic species in the interstellar medium from interaction of linear molecules containing carbon, nitrogen and hydrogen as atomic components (polyynes) with free electrons in the environment is modelled via a quantum treatment of the collision dynamics. The ensuing integral cross sections are employed to obtain the corresponding attachment rates over a broad range of temperatures for the electrons. The calculations unequivocally show that a parametrization form often employed for such rates yields a broad range of values that turn out to be specific for each molecular species considered, thus excluding using a unique set for the whole class of polyynes.

astro-ph.GA↗

arXiv2005

Microsolvation of Li$^+$ in small He Clusters. Li$^+$He$_n$ species from Classical and Quantum Calculations

A structural study of the smaller Li$^+$He$_n$ clusters with $n\le30$ has been carried out using different theoretical methods. The structures and the energetics of the clusters have been obtained using both classical energy minimization methods and quantum Diffusion Monte Carlo. The total interaction acting within the clusters has been obtained as a sum of pairwise potentials: Li$^+$-He and He-He. This approximation had been shown in our earlier study \cite{8} to give substantially correct results for energies and geometries once compared to full ab-initio calculations. The general features of the spatial structures, and their energetics, are discussed in details for the clusters up to $n=30$ and the first solvation shell is shown to be essentially completed by the first ten helium atoms.

physics.chem-ph↗