An empirical potential-energy surface for the He-I2(B 3IIu) van der Waals complex including three-body effects.
An empirical intermolecular potential surface is proposed for the He-I2(B 3IIu) 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.
García-Vela
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Instituto de Matemáticas y Física Fundamental, Consejo Superior de Investigaciones Cientificas (CSIC), Serrano 123, 28006 Madrid, Spain. garciavela@imaff.cfmac.csic.es