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Paper The following article is Open access

Adiabatic treatment for vibrational predissociation of water dimers with channel interactions

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Published under licence by IOP Publishing Ltd
, , Citation H Mineo et al 2015 J. Phys.: Conf. Ser. 635 112013 DOI 10.1088/1742-6596/635/11/112013

1742-6596/635/11/112013

Synopsis

The results of calculated vibrational predissociation (VPD) of water dimers are presented. The VPD processes considered here are the followings: initially closed channel of symmetric stretching mode is excited by one quantum, and dissociate to two open channels of the bending mode excitation by one quantum in the donor and acceptor units. The VPD rate constants are calculated in the quantum mechanical approach under the adiabatic approximation. The channel interactions were taken into account in and between the initial and final states. The results obtained by quantum-mechanical approach are compared with both experimental and semi-classical trajectory calculation results.

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10.1088/1742-6596/635/11/112013