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Title

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

AuthorsLópez Durán, David; Lara Castells, María Pilar de ; Delgado Barrio, Gerardo ; Villarreal, Pablo ; Paola, C. Di.; Gianturco, Franco Antonio; Jellinek, J.
KeywordsQuantum chemistry
HF calculations
Atomic clusters
Helium
Bromine
Fermion systems
Issue Date15-Aug-2004
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 121(7): 2975 (2004)
AbstractThe 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].
Description10 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
URIhttp://hdl.handle.net/10261/21565
DOI10.1063/1.1769369
ISSN0021-9606
Appears in Collections:(CFMAC-IFF) Artículos
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