Vibrational predissociation of ArHF: a test of global semiempirical potential energy surfaces

作者: Alexei A. Buchachenko , Nikolai F. Stepanov , Roman V. Krems , Sture Nordholm

DOI: 10.1039/B204480N

关键词:

摘要: Vibrational spectra and vibrational predissociation dynamics of the ArHF complex in lowest van der Waals levels corresponding to states HF fragment v = 0–7 are investigated using an accurate quantum mechanical method recent three-dimensional potential energy surfaces (PES). The results demonstrate accuracy semiempirical diatomics-in-molecule empirically corrected ab initio PES's allow for better understanding sensitivity lifetimes product state distributions interaction potential. Main features fragmentation such as near-resonant vibration-to-rotation transfer, strong variation with excitation modes, rapid increase decay rates analyzed.

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