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Chinese Physics B

Dynamics of vibrational chaos and entanglement in triatomic molecules: Lie algebraic model

Liang-Jun Zhai, Yujun Zheng, Shiliang Ding

Published Jul 1, 2012• 14 citations
Publisher

Abstract

In this paper, the dynamics of chaos and the entanglement in triatomic molecular vibrations are investigated. On the classical aspect, we study the chaotic trajectories in the phase space. We employ the linear entropy to examine the dynamical entanglement of the two bonds on the quantum aspect. The correspondence between the classical chaos and the quantum dynamical entanglement is also investigated. As an example, we apply our algebraic model to molecule H 2 O.

DOI
10.1088/1674-1056/21/7/070503

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The Journal of Atomic and Molecular Sciences•Apr 30, 2018•0 citations
In this paper, the dynamics of chaos and the entanglement in triatomic molecular vibrations are investigated. On the classical aspect, we study the chaotic trajectories in the phase space. We employ the linear entropy to examine the dynamical entanglement of the two bonds on the quantum aspect. The correspondence between the classical chaos and the quantum dynamical entanglement is also investigated. As an example, we apply our algebraic model to molecule H 2 O.
The dynamical entanglement of two stretching vibrations of triatomic molecules H2O{\mathrm{H}}_{2}\mathrm{O}H2​O and SO2\mathrm{S}{\mathrm{O}}_{2}SO2​ in an algebraic model is studied in terms of the reduced-density linear entropy with initial states that are, respectively, taken to be the product of Fock states and coherent states on each bond. It is shown that the entanglement of initial states with local-mode character is regular while that of states with normal-mode character is irregular. For initial coherent states with a small amplitude, the regularity of the entanglement with a long period appears in SO2\mathrm{S}{\mathrm{O}}_{2}SO2​ and ``classical'' beat phenomena of the entanglement happens in H2O{\mathrm{H}}_{2}\mathrm{O}H2​O, where the period of the beat is longer. Those long periods of the entanglement indicate that the entanglement sustains long enough so that quantum information process and quantum computation could be accomplished.
In the present study, the dynamical behaviors of tripartite entanglement of vibrations in triatomic molecules are studied based on the Lie algebraic models of molecules. The dynamical behaviors of tripartite entanglement of the local mode molecule H2O and normal mode molecule NO2 are comparatively studied for different initial states by employing the general concurrence. Our results show that the dynamics of tripartite entanglement are relied on the dynamics of intramolecular energy distribution. The local mode molecule is more suitable to construct the tripartite entangled states. Also, the greater degree of tripartite entanglement can be obtained if the stretching vibration is first excited. These results shed new light on the understanding of quantum multipartite entanglement of vibrations in the polyatomic molecules.