Structure and dynamics of small protonated rare-gas clusters using quantum and 
classical methods

Gianturco, F. A.; Filippone, F.

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Structure and dynamics of small protonated rare-gas clusters using quantum and classical methods

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Filippone, F.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Gianturco, F. A., & Filippone, F. (2002). Structure and dynamics of small protonated rare-gas clusters using quantum and classical methods. Computer Physics Communications, 145(1), 78-96.

Cite as: https://hdl.handle.net/21.11116/0000-000E-F1CF-9

Abstract

The possible structures of small He and Ar clusters containing
H+ as ionic impurity are shown to be amenable to a detailed
analysis of their structures and of the dynamical evolution by
means of Ab Initio Molecular Dynamics (AIMD) treatments as well
as by quantum treatments via Diffusion Monte Carlo (DMC)
approaches. The two methods are briefly reviewed and their
computational results are analyzed. (C) 2002 Elsevier Science
B.V. All rights reserved.