Infinite order sudden approximation IOSA

Infinite-order sudden approximation (IOSA), electron nuclear dynamics (END), molecular systems, 345-349 Initial relaxation direction (IRD), direct molecular dynamics, theoretical background, 359-361 Inorganic compounds, loop construction, photochemical reactions, 481-482 In-phase states ... 

By using this approach, it is possible to calculate vibrational state-selected cross-sections from minimal END trajectories obtained with a classical description of the nuclei. We have studied vibrationally excited H2(v) molecules produced in collisions with 30-eV protons [42,43]. The relevant experiments were performed by Toennies et al. [46] with comparisons to theoretical studies using the trajectory surface hopping model [11,47] (TSHM). This system has also stimulated a quantum mechanical study [48] using diatomics-in-molecule (DIM) surfaces [49] and invoking the infinite-order sudden approximation (IOSA). 

Delgado-Barrio, G., Mareca, P., Villarreal, P., Cortina, A.M., and Miret-Artes, S. (1986). A close-coupling infinite order sudden approximation (IOSA) to study vibrational predissociation of the Hel2 van der Waals molecule, J. Chem. Phys. 84, 4268-4271. 

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