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An empirical potential-energy surface for the He–I2(BII3u) van der Waals complex including three-body effects

AuthorsGarcía Vela, Alberto
Issue Date28-Sep-2005
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 123(12): 124311 (2005)
AbstractAn empirical intermolecular potential surface is proposed for the He–I2(B3IIu) complex, modeled as a sum of pairwise He–I Morse interactions plus a three-body interaction term. The potential reproduces with very good agreement the spectral blueshifts and vibrational predissociation lifetimes measured for He–I2(B,v') in the range v'=10–67 of I2 vibrational excitations. In particular, the accuracy achieved in the description of the experimental data for high v' levels is attributed to the three-body interaction term included in the potential. The behavior of the potential surface with the I–I separation is analyzed and correlated with the experimental findings.
Description9 pages, 6 figures, 4 tables.-- PACS: 31.50.-x
Publisher version (URL)http://dx.doi.org/10.1063/1.2040367
Appears in Collections:(CFMAC-IFF) Artículos
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