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Open Access item Raman spectra of (He)N-Br2(X) clusters: The role of boson/fermion statistics in a quantum solvent

Authors:López Durán, David
Lara Castells, M. Pilar de
Delgado Barrio, Gerardo
Villarreal, Pablo
Paola, C. Di.
Gianturco, Franco Antonio
Jellinek, J.
Keywords:Quantum chemistry, HF calculations, Atomic clusters, Helium, Bromine, Fermion systems
Issue Date:15-Aug-2004
Publisher:American Institute of Physics
Citation:Journal of Chemical Physics 121(7): 2975 (2004)
Abstract:The aim of this paper is to elucidate the role played by the bosonic/fermionic character of N He atoms solvating a Br2(X) molecule. To this end, an adiabatic model in the molecular stretching coordinate is assumed and the ground energy levels of the complexes are searched by means of Hartree (or Hartree-Fock) Quantum Chemistry calculations for 4He (or 3He) solvent atoms. Simulations of vib-rotational Raman spectra point at the spin multiplicity as the main feature responsible for the drastic difference in the rotational structures of molecules embedded in boson or fermion helium drops as already observed by the experiments of Grebenev et al. [S. Grebenev, J. P. Toennies, and A. F. Vilesov, Science 279 (1998) 2083].
Description:10 pages, 9 figures, 4 tables.-- PACS: 33.20.Fb; 36.40.Mr; 05.30.Jp; 05.30.Fk; 33.70.Jg; 31.70.Dk; 31.15.Ne; 33.20.Vq
Publisher version (URL):http://dx.doi.org/10.1063/1.1769369
URI:http://hdl.handle.net/10261/21565
ISSN:0021-9606
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Appears in Collections:(CFMAC-IFF) Artículos

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