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arXiv:2512.04941 · Physical Review A

Exploring vibronic dynamics near a sloped conical intersection with trapped Rydberg ions

Abdessamad Belfakir, Weibin Li

physics.atom-phquant-phSubmitted Dec 4, 2025• Announced Dec 5, 2025• 0 citations
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Abstract

We study spin-phonon coupled dynamics in the vicinity of a sloped conical intersection created by laser coupling the electronic (spin) and vibrational degrees of freedom of a pair of trapped Rydberg ions. We show that the shape of the potential energy surfaces can be engineered and controlled by exploiting the sideband transitions of the crystal vibration and dipole-dipole interactions between Rydberg ions in the Lamb-Dicke regime. Using the sideband transition, we realize a sloped conical intersection whose cone axis is only tilted along one spatial axis. When the phonon wavepacket is located in the potential minimum of the lower potential surface, the spin and phonon dynamics are largely frozen owing to the geometric phase effect. When starting from the upper potential surface, the electronic and phonon states tunnel to the lower potential surface, leading to a partial revival of the initial state. In contrast, the dynamics drastically change when the initial wavepackets are away from the conical intersection. The initial state is revived, and is almost entirely irrelevant to whether it is from the lower or upper potential surface. Complete Rabi oscillations of the adiabatic states are found when the wavepacket is initialized on the upper potential surface. The dynamics occur on the microsecond and nanometer scales, implying that Rydberg ions provide a platform for simulating nonadiabatic processes in the vicinity of a sloped conical intersection.

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We study spin-phonon coupled dynamics in the vicinity of a sloped conical intersection created by laser coupling the electronic (spin) and vibrational degrees of freedom of a pair of trapped Rydberg ions. We show that the shape of the potential energy surfaces can be engineered and controlled by exploiting the sideband transitions of the crystal vibration and dipole-dipole interactions between Rydberg ions in the Lamb-Dicke regime. Using the sideband transition, we realize a sloped conical intersection whose cone axis is only tilted along one spatial axis. When the phonon wavepacket is located in the potential minimum of the lower potential surface, the spin and phonon dynamics are largely frozen owing to the geometric phase effect. When starting from the upper potential surface, the electronic and phonon states tunnel to the lower potential surface, leading to a partial revival of the initial state. In contrast, the dynamics drastically change when the initial wavepackets are away from the conical intersection. The initial state is revived, and is almost entirely irrelevant to whether it is from the lower or upper potential surface. Complete Rabi oscillations of the adiabatic states are found when the wavepacket is initialized on the upper potential surface. The dynamics occur on the microsecond and nanometer scales, implying that Rydberg ions provide a platform for simulating nonadiabatic processes in the vicinity of a sloped conical intersection.
Non-adiabatic processes near conical intersections are rooted in the stronger coupling between electronic and nuclear degrees of freedom. Using a system of two trapped Rydberg ions, their high polarizability and strong dipolar interactions allow to form a conical intersection, where dynamics takes place on a microsecond time scale. Rydberg lifetimes are typically from a few to tens of microseconds, which could affect the conical dynamics. We study the effect of the finite lifetime of the Rydberg state on the vibronic dynamics around the conical intersection via analyzing the master equation. Through mean field and numerical calculations, damping dynamics are found in both the phonon populations and electronic states depending on the initial states. It is found that oscillatory vibronic dynamics can be seen clearly within the Rydberg lifetime, permitting to observe the conical effect in the trapped Rydberg ion system.
Conical intersections between electronic potential energy surfaces are paradigmatic for the study of nonadiabatic processes in the excited states of large molecules. However, since the corresponding dynamics occurs on a femtosecond timescale, their investigation remains challenging and requires ultrafast spectroscopy techniques. We demonstrate that trapped Rydberg ions are a platform to engineer conical intersections and to simulate their ensuing dynamics on larger length scales and timescales of the order of nanometers and microseconds, respectively; all this in a highly controllable system. Here, the shape of the potential energy surfaces and the position of the conical intersection can be tuned thanks to the interplay between the high polarizability and the strong dipolar exchange interactions of Rydberg ions. We study how the presence of a conical intersection affects both the nuclear and electronic dynamics demonstrating, in particular, how it results in the inhibition of the nuclear motion. These effects can be monitored in real time via a direct spectroscopic measurement of the electronic populations in a state-of-the-art experimental setup.
We demonstrate coherent control of motional dynamics in trapped Rydberg ions engineered to exhibit a conical intersection between adiabatic potential-energy surfaces. Using quantum optimal control, an optimally shaped electric field drives the motional wave packet between prescribed spatial configurations on microsecond timescales. Localized nonadiabatic coupling breaks the symmetry of the dynamics and produces a directed trajectory: after only a few early passages through the conical intersection region, the packet proceeds toward the target with high fidelity. In contrast, in the Born-Oppenheimer limit, where such coupling is absent, the optimized control yields symmetric, multicycle oscillations rather than a comparably directed displacement. While both approaches reach the target at the chosen final time, the underlying trajectories are qualitatively different. This work demonstrates that engineered conical intersections can serve as a potential control resource for directional motional dynamics, complementing pulse-shaping methods in trapped-ion systems. This directional motion of the ions, enabled by the conical intersection, may provide a route toward improved control of motional states in trapped-ion quantum information processing.
In this paper, we investigate coherent control of nonadiabatic dynamics at a conical intersection (CI) using engineered ultrafast laser pulses. Within a model vibronic system, we tailor pulse chirp and temporal profile and compute the resulting wave-packet population and coherence dynamics using projections along the reaction coordinate. This approach allows us to resolve the detailed evolution of wave-packets as they traverse the degeneracy region with strong nonadiabatic coupling. By systematically varying pulse parameters, we demonstrate that both chirp and pulse duration modulate vibrational coherence and alter branching between competing pathways, leading to controlled changes in quantum yield. Our results elucidate the dynamical mechanisms underlying pulse-shaped control near conical intersections and establish a general framework for manipulating ultrafast nonadiabatic processes.
Conical intersections are common in molecular physics and photochemistry, and are often invoked to explain observed reaction products. A conical intersection can occur when an excited electronic potential energy surface intersects with the ground electronic potential energy surface in the coordinate space of the nuclear positions. Theory predicts that the conical intersection will result in a geometric phase for a wavepacket on the ground potential energy surface. Although conical intersections have been observed experimentally, the geometric phase has not been observed in a molecular system. Here we use a trapped atomic ion system to perform a quantum simulation of a conical intersection. The internal state of a trapped atomic ion serves as the electronic state and the motion of the atomic nuclei are encoded into the normal modes of motion of the ions. The simulated electronic potential is constructed by applying state-dependent forces to the ion with a near-resonant laser. We experimentally observe the geometric phase on the ground-state surface using adiabatic state preparation followed by motional state measurement. Our experiment shows the advantage of combining spin and motion degrees of freedom in a quantum simulator.
State-dependent conformational changes play a central role in molecular dynamics, yet they are often difficult to observe or simulate due to their complexity and ultrafast nature. One alternative approach is to emulate such phenomena using quantum simulations with cold, trapped ions. In their electronic ground state, these ions form long-lived Wigner crystals. When excited to high-lying electronic Rydberg states, the ions experience a modified trapping potential, resulting in a strong coupling between their electronic and vibrational degrees of freedom. In an ion crystal, this vibronic coupling creates electronic state-dependent potential energy surfaces that can support distinct crystal structures-closely resembling the conformational changes of molecules driven by electronic excitations. Here, we present the first experimental observation of this effect, by laser coupling a single ion at the center of a three-ion crystal to a Rydberg state. By tuning the system close to a structural phase transition, the excitation induces a state-dependent conformational change, transforming the Wigner crystal from a linear to a zigzag configuration. This structural change leads to a strong hybridization between vibrational and electronic states, producing a clear spectroscopic signature in the Rydberg excitation. Our findings mark the first experimental step toward using Rydberg ions to create and study artificial molecular systems.