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.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.

Physical Review AJul 8, 201316 citations

Entanglement, energy transfer and coherence visibility in small molecular systems

Xiangjia Meng, Yujun Zheng

We study the dynamical entanglement of vibrations, intramolecular energy transfer and coherence properties in triatomic molecular systems based on discrete self-trapping theory. O 3 and SO 2 samples are employed as typical local-mode (LM) and normal-mode molecules, respectively. It is demonstrated that the LM molecule prepared in a LM characteristic state is much more suitable to realize quantum computation. In addition, by introducing a section of entanglement and energy transfer, we investigate the relationship between the two quantities generally. The dynamics between entanglement and energy transfer can reveal a good synchronism under some conditions. Moreover, the intramolecular coherence properties presented by the coherence visibility are discussed in some cases.We study the dynamical entanglement of vibrations, intramolecular energy transfer and coherence properties in triatomic molecular systems based on discrete self-trapping theory. O 3 and SO 2 samples are employed as typical local-mode (LM) and normal-mode molecules, respectively. It is demonstrated that the LM molecule prepared in a LM characteristic state is much more suitable to realize quantum computation. In addition, by introducing a section of entanglement and energy transfer, we investigate the relationship between the two quantities generally. The dynamics between entanglement and energy transfer can reveal a good synchronism under some conditions. Moreover, the intramolecular coherence properties presented by the coherence visibility are discussed in some cases.

Journal of Physics B Atomic Molecular and Optical PhysicsFeb 28, 20149 citations

Generalized quantum Fokker–Planck theory and its application to laser driven intramolecular hydrogen transfer reactions in condensed phases

Oliver Kühn, Yi Dong Zhao, Feng Shuang +1 more

A generalized quantum Fokker–Planck theory is proposed to treat the correlated dynamics of coherent driving and Markovian dissipation. The resulting formulation is applicable to arbitrary external time-dependent driving fields and satisfies the detailed balance condition at arbitrary temperatures. Analyzed are also the formal relations among the Caldeira–Leggett quantum Fokker–Planck equation, the Bloch–Redfield theory, and the present formulation. The approach is numerically implemented to study the intramolecular hydrogen transfer reaction dynamics in a one-dimensional model system. Different forms of external pulsed driving fields are exploited and their ability to compete with concurring relaxation processes is investigated. Energy relaxation and pure dephasing are shown to have rather different influences on the reaction yield.A generalized quantum Fokker–Planck theory is proposed to treat the correlated dynamics of coherent driving and Markovian dissipation. The resulting formulation is applicable to arbitrary external time-dependent driving fields and satisfies the detailed balance condition at arbitrary temperatures. Analyzed are also the formal relations among the Caldeira–Leggett quantum Fokker–Planck equation, the Bloch–Redfield theory, and the present formulation. The approach is numerically implemented to study the intramolecular hydrogen transfer reaction dynamics in a one-dimensional model system. Different forms of external pulsed driving fields are exploited and their ability to compete with concurring relaxation processes is investigated. Energy relaxation and pure dephasing are shown to have rather different influences on the reaction yield.

The Journal of Chemical PhysicsApr 8, 200030 citations

Quantum Generators with Molecular and Atomic Beams

Vladimir I. Chizhik, Yuri S. Chernyshev, Alexey V. Donets +3 more

Springer eBooksJan 1, 20141 citation

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.