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arXiv:2601.17144

General framework for quantifying entanglement production in ultracold molecular collisions and chemical reactions

Adrien Devolder, Paul Brumer, Timur Tscherbul

physics.atom-phquant-phSubmitted Jan 23, 2026• Announced Jan 27, 2026• 0 citations
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Abstract

Entanglement, a defining feature of quantum mechanics, arises naturally from interactions between molecular systems. Yet the precise nature and quantification of entanglement in the products of molecular collisions and reactions remain largely unexplored. Here, we show that coupling between the external (motional) and internal degrees of freedom of the colliding molecules generates diverse forms of product-state entanglement: discrete-discrete, continuum-continuum, and hybrid discrete-continuum. We develop a general theoretical framework to quantify these entanglement forms directly from scattering S-matrix elements and identify a novel class of entangled states-multimode hybrid cat states, that exhibit multimode discrete-continuum entanglement. Although applicable at arbitrary collision energies, the formalism is illustrated in the ultracold and cold regimes for inelastic Rb+SrF and Rb+Sr$^+$ collisions, as well as the chemical reaction F+HD $\rightarrow$ HF+D, DF+H. We demonstrate that entanglement can be efficiently controlled near magnetic Feshbach resonances, paving the way for precise magnetic control of product-state entanglement generation in ultracold molecular collisions.

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Entanglement, a defining feature of quantum mechanics, arises naturally from interactions between molecular systems. Yet the precise nature and quantification of entanglement in the products of molecular collisions and reactions remain largely unexplored. Here, we show that coupling between the external (motional) and internal degrees of freedom of the colliding molecules generates diverse forms of product-state entanglement: discrete-discrete, continuum-continuum, and hybrid discrete-continuum. We develop a general theoretical framework to quantify these entanglement forms directly from scattering S-matrix elements and identify a novel class of entangled states-multimode hybrid cat states, that exhibit multimode discrete-continuum entanglement. Although applicable at arbitrary collision energies, the formalism is illustrated in the ultracold and cold regimes for inelastic Rb+SrF and Rb+Sr+^++ collisions, as well as the chemical reaction F+HD →\rightarrow→ HF+D, DF+H. We demonstrate that entanglement can be efficiently controlled near magnetic Feshbach resonances, paving the way for precise magnetic control of product-state entanglement generation in ultracold molecular collisions.
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This article reviews the current state of the art in the field of cold and ultracold molecules and demonstrates that chemical reactions, inelastic collisions and dissociation of molecules at subkelvin temperatures can be manipulated with external electric or magnetic fields. The creation of ultracold molecules may allow for spectroscopy measurements with extremely high precision and tests of fundamental symmetries of nature, quantum computation with molecules as qubits, and controlled chemistry. The probability of chemical reactions and collisional energy transfer can be very large at temperatures near zero kelvin. The collision energy of ultracold atoms and molecules is much smaller than perturbations due to interactions with external electric or magnetic fields available in the laboratory. External fields may therefore be used to induce dissociation of weakly bound molecules, stimulate forbidden electronic transitions, suppress the effect of centrifugal barriers in outgoing reaction channels or tune Feshbach resonances that enhance chemical reactivity.
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Chemical reactions at temperatures near absolute zero require a full quantum description of the reaction pathways and enable enhanced control of the products via quantum state selection. Ultracold molecule experiments have provided initial insight into the quantum nature of basic chemical processes involving diatomic molecules, for example from studies of bimolecular reactions, but complete control over the reactants and products has remained elusive. The half-collision process of photodissociation is an indispensable tool in molecular physics and offers significantly more control than the reverse process of photoassociation. Here we reach a fully quantum regime with photodissociation of ultracold 88^{88}88Sr2_22​ molecules where the initial bound state of the molecule and the target continuum state of the fragments are strictly controlled. Detection of the photodissociation products via optical absorption imaging reveals the hallmarks of ultracold chemistry: resonant and nonresonant barrier tunneling, importance of quantum statistics, presence of forbidden reaction pathways, and matter wave interference of reaction products. In particular, this interference yields fragment angular distributions with a strong breaking of cylindrical symmetry, so far unobserved in photodissociation. We definitively show that the quasiclassical description of photodissociation fails in the ultracold regime. Instead, a quantum model accurately reproduces our results and yields new intuition.
Abstract Studying chemical reactions on a state-to-state level tests and improves our fundamental understanding of chemical processes. For such investigations it is convenient to make use of ultracold atomic and molecular reactants as they can be prepared in well defined internal and external quantum states. Here, we investigate a single-channel reaction of two Li2-Feshbach molecules where one of the molecules dissociates into two atoms 2AB ⇒ AB + A + B. The process is a prototype for a class of four-body collisions where two reactants produce three product particles. We measure the collisional dissociation rate constant of this process as a function of collision energy/temperature and scattering length. We confirm an Arrhenius-law dependence on the collision energy, an a4 power-law dependence on the scattering length a and determine a universal four body reaction constant.