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Infrared spectrum of H5 + and D5 +: The simplest shared-proton model

AuthorsSanz-Sanz, Cristina ; Roncero, Octavio ; Valdés, Álvaro ; Prosmiti, Rita ; Delgado Barrio, Gerardo ; Villarreal, Pablo ; Barragán, Patricia ; Aguado, Alfredo
Issue Date2011
PublisherAmerican Physical Society
CitationPhysical review A 84: 060502(R) (2011)
AbstractWe present a two-dimensional collinear, adiabatic model to describe the motion of a proton in between two hydrogen molecules which adjust their elongation to trace a minimum-energy path. Together with bound states, the predissociative, vibrationally excited states involved in the electric dipole transitions are characterized. The main qualitative features of the infrared spectra of H5 + and its deuterated variant are discussed, and the effect of the temperature of the clusters is analyzed. © 2011 American Physical Society.
Identifiersdoi: 10.1103/PhysRevA.84.060502
issn: 1050-2947
Appears in Collections:(CFMAC-IFF) Artículos
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