Abstract

The time-dependent version of a Golden Rule treatment for studying vibrational predissociation (VP) of a model triatomic van der Waals (vdW) X ċ BC system shows the VP rate as the Fourier transform of an autocorrelation function. Analytical fits to this time dependent function allow the rewriting of such a rate in terms of the autocorrelation time. This suggests the possibility of using a diabatic vibrational approximation within the classical frame. In particular, it would enable the study of the VP of vdW clusters containing a fast vibrational diatomic subunit, a current bottleneck in quasiclassical trajectory (QCT) calculations.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.