# Dynamical bottlenecks to intramolecular energy flow.

@article{Paskauskas2008DynamicalBT, title={Dynamical bottlenecks to intramolecular energy flow.}, author={R. Andrew Paskauskas and Cristel Chandre and Turgay Uzer}, journal={Physical review letters}, year={2008}, volume={100 8}, pages={ 083001 } }

Vibrational energy flows unevenly in molecules, repeatedly going back and forth between trapping and roaming. We identify bottlenecks between diffusive and chaotic behavior, and describe generic mechanisms of these transitions, taking the carbonyl sulfide molecule OCS as a case study. The bottlenecks are found to be lower-dimensional tori; their bifurcations and unstable manifolds govern the transition mechanisms.

## 19 Citations

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This Perspective showcases the power of modern nonlinear dynamics methods in analysing high dimensional phase spaces, thereby extending the deep insights into IVR that were earlier gained for systems with effectively two degrees of freedom.

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It is shown that the bounded dynamics of Moser's family is organized by a codimension-three bifurcation that creates four fixed points---a bifURcation analogous to a doubled, saddle-center---which is called a quadfurcation.

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- ChemistryTheoretical Chemistry Accounts
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AbstractIn this work computational modeling of the isomerization reactions of the linear OCS, CSO, COS, and the cyclic Δ-OCS structures, on the ground state Potential Energy Surface (PES), is…

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- PhysicsThe Journal of chemical physics
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It is observed that IVR is so slow that the molecule begins to dissociate well before such quasi-thermalization is complete, in accordance with earlier classical-mechanical predictions of non-RRKM behavior.

Bifurcations of families of 1 D-tori in 4 D symplectic maps

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The regular structures of a generic 4d symplectic map with a mixed phase space are organized by oneparameter families of elliptic 1d-tori. Such families show prominent bends, gaps, and new branches.…

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The statistics of Poincaré recurrence times in Hamiltonian systems typically shows a power-law decay with chaotic trajectories sticking to some phase-space regions for long times. For…

Bifurcations of families of 1D-tori in 4D symplectic maps.

- Physics, MathematicsChaos
- 2016

The regular structures of a generic 4d symplectic map with a mixed phase space are organized by one-parameter families of elliptic 1d-tori, and the new families emerging from such a bifurcation form the skeleton of the corresponding resonance channel.

Global structure of regular tori in a generic 4D symplectic map.

- Mathematics, PhysicsChaos
- 2014

In combination, these results allow for describing the hierarchical structure of regular tori in the 4d phase space analogously to the islands-around-islands hierarchy in 2d maps.

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