Rotational spectrum of CO₂ in helium clusters

Author: Mezzacapo, Fabio

Source: Journal of Low Temperature Physics, Volume 140, Numbers 3-4, August 2005 , pp. 241-252(12)

Publisher: Springer

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Abstract:

We present a theoretical study, based on Reptation Quantum Monte Carlo simulations, of a single CO₂ molecule embedded in a Helium cluster (⁴He)_N, with 2

50. Upon studying density profiles and rotational dynamics, we find a nontrivial behaviour that corresponds to the formation of the first solvation shell. We determine the value of N for which the rotational constant begins to approach the nanodroplet limit. We also give an example of computational spectroscopy, illustrating the complementarity of simulations and experiments.

Document Type: Research article

DOI: http://dx.doi.org/10.1007/s10909-005-6311-z

Affiliations: 1: Dipartimento di Fisica, Università degli Studi di Roma “La Sapienza”, Piazzale Aldo Moro 2., I-00185, Rome, Italy,

Publication date: 2005-08-01