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dc.contributor.authorLópez Durán, David-
dc.contributor.authorLara Castells, María Pilar de-
dc.contributor.authorDelgado Barrio, Gerardo-
dc.contributor.authorVillarreal, Pablo-
dc.contributor.authorPaola, C. Di.-
dc.contributor.authorGianturco, Franco Antonio-
dc.contributor.authorJellinek, J.-
dc.identifier.citationJournal of Chemical Physics 121(7): 2975 (2004)en_US
dc.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.Vqen_US
dc.description.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].en_US
dc.description.sponsorshipThis work has been partially supported by the Italy- Spain Integrated Action Program HI02-74, the DGICYT Spanish Grant No. BFM2001-2179, and the European TMR network Grant No. HPRN-CT-1999-0005. F.A.G. and C.DiP. thank the Research Committee of the University of Rome La Sapienza. M. P. deL.-C. thanks Hendrik J. Monkhorst for useful discussions as well as the Comunidad Autonoma de Madrid (Spain) for the financial support. J.J. was supported by the Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, U.S. Department of Energy under Contract number W-31-109-Eng-38.en_US
dc.format.extent176774 bytes-
dc.publisherAmerican Institute of Physicsen_US
dc.subjectQuantum chemistryen_US
dc.subjectHF calculationsen_US
dc.subjectAtomic clustersen_US
dc.subjectFermion systemsen_US
dc.titleRaman spectra of (He)N-Br2(X) clusters: The role of boson/fermion statistics in a quantum solventen_US
dc.description.peerreviewedPeer revieweden_US
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