Dynamics of Tripartite Entanglement and Intramolecular Energy in Symmetric Trimer Molecule

The dynamics of tripartite entanglement and intramolecular energy for one harmonic-and two anharmonic-vibrational modes in a symmetric trimer molecule is studied for various ini-tial states, where the entanglement is quantified in terms of concurrence and the interacting energy among three modes is calculated to establish a link between entanglement and en-ergy. It is shown that the concurrence and the interacting energy behave dominantly positive correlation for the localized state in the anharmonic-vibrational mode, while they are domi-nantly anti-correlated for the localized state in the harmonic-vibrational mode. The relation between bipartite entanglement and the energy in a subsystem is discussed as well. Those are useful for quantum computing and quantum information in high dimensional states prepared in polyatomic molecules.