I just finished a paper, Quantum entanglement between electrons and vibrations in molecules, with Laura McKemmish, Noel Hush, and Jeff Reimers.

We consider a simple model Hamiltonian which describes two quantum states interacting with a single vibrational mode [alternatively known as the one mode spin-boson model, the Herzberg-Teller model, or the E x beta Jahn-Teller model].

A couple of things I learnt:

*Realistic model parameter values for six molecules including ammonia, benzene, and semibulvalene.

*The large entanglement which occurs in the strong coupling (adiabatic) limit can be quite "fragile". i.e., it can be destroyed by a small asymmetry in energy. Compare the top left two boxes in the figure below which shows a colour-shaded plot of the entanglement as a function of the Hamiltonian parameters.

A couple of things I learnt:

*Realistic model parameter values for six molecules including ammonia, benzene, and semibulvalene.

*The large entanglement which occurs in the strong coupling (adiabatic) limit can be quite "fragile". i.e., it can be destroyed by a small asymmetry in energy. Compare the top left two boxes in the figure below which shows a colour-shaded plot of the entanglement as a function of the Hamiltonian parameters.

*In contrast, in a regime where all the energy scales are comparable, the entanglement is much more robust.

I am an occasional reader of Phys. Rev. A, and this paper is definitely of interest to me.

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