Intramolecular energy transfer, entanglement, and decoherence in molecular systems

Abstract

The intramolecular energy transfer, dynamical entanglement of vibrations, and decoherence process in triatomic molecular systems are studied. The benchmark molecules of ${\mathrm{H}}_{2}\mathrm{S}$, ${\mathrm{NO}}_{2}$, and ${\mathrm{O}}_{3}$ are sampled to investigate the intramolecular energy transfer and dynamical entanglement of stretching-stretching vibrational modes in triatomic molecular systems by restricting the bending vibration to its ground state. The comparative study is applied to explore the dynamical differences of initial local-mode and normal-mode characteristic states. Also, the decoherence process of the stretching-stretching qubits system caused by the bending vibration is discussed.