Dressed adiabatic and diabatic potentials to study conical intersections for F + H2.
作者： Anita Das , Tapas Sahoo , Debasis Mukhopadhyay , Satrajit Adhikari , Michael Baer
DOI: 10.1063/1.3679406
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摘要: We follow a suggestion by Lipoff and Herschbach [Mol. Phys. 108, 1133 (2010)10.1080/00268971003662912] compare dressed bare adiabatic potentials to get insight regarding the low-energy dynamics (e.g., cold reaction) taking place in molecular systems. In this particular case, we are interested study effect of conical intersections (ci) on interacting atoms. For purpose, consider vibrational diabatic entrance channel reactive According our study, most one should expect, case F + H2, is mild (1, 2) ci its reactive/exchange process−an outcome also supported experiment. This happens although corresponding potential barriers (and van der Waals wells) differ significantly from each other.
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