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Title: 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
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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Citation: Journal of Chemical Physics 121(7): 2975 (2004)
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