Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Bulletin of the American Physical Society

Control of Ultracold Chemical Reactions Through Conical Intersections

Constantinos Makrides, Alexander Petrov, Svetlana Kotochigova

Published May 26, 2016• 0 citations
OpenAlex

Related papers

Mechanistic Insights into Ultracold Chemical Reactions under the Control of the Geometric Phase

Jiayu Huang, Brian K. Kendrick, Dong Hui Zhang

Ultracold chemical reactions involve collision temperatures approaching absolute zero, and for molecular systems that exhibit a barrierless and exoergic reaction path significant reactivity can occur. In addition, many molecules contain a conical intersection, and the associated geometric phase has been shown to significantly alter the outcome of ultracold reactions. Here we report a quantum dynamics study for the ultracold O + OH → H + O 2 reaction. An analysis of the scattering wave functions reveals explicitly the nature of the quantum interference between the direct and looping reaction pathways around the conical intersection and thus illustrates how the reaction proceeds under the control of the geometric phase for the first time. The wave function analysis should generalize to other ultracold reactions that contain a conical intersection. Our findings indicate that quantum control techniques such as an optical lattice trap or the initial state orientation may be effective in controlling the reactivity.

The Journal of Physical Chemistry Letters•Feb 24, 2021•20 citations

Formation of ultracold molecules in chemical reactions

Timur V. Tscherbul, Ğirts Barinovs, Jacek A. Kłos +1 more

Bulletin of the American Physical Society•May 30, 2008•0 citations

Controlled Collisions between Ultracold Polar Molecules

William G. Tobias, Jun-Ru Li, Kyle Matsuda +3 more

Bulletin of the American Physical Society•Jun 3, 2021•0 citations

Geometric Phase Effects in Ultracold Chemical Reactions

Brian K. Kendrick, N. Balakrishnan

The role of the geometric phase effect in chemical reaction dynamics has long been a topic of active experimental and theoretical investigations. The topic has received renewed interest in recent years in cold and ultracold chemistry where it was shown to play a decisive role in state-to-state chemical dynamics. We provide a brief review of these developments focusing on recent studies of O + OH and hydrogen exchange in the H + H 2 and D + HD reactions at cold and ultracold temperatures. Non-adiabatic effects in ultracold chemical dynamics arising from the conical intersection between two electronic potential energy surfaces are also briefly discussed. By taking the hydrogen exchange reaction as an illustrative example it is shown that the inclusion of the geometric phase effect captures the essential features of non-adiabatic dynamics at collision energies below the conical intersection.

Atoms•Jul 3, 2019•9 citations

Controlling ultracold molecular reactions through nuclear spins

Lingbang Zhu, Matthew A. Nichols, Yu Liu +3 more

Bulletin of the American Physical Society•Jun 4, 2021•0 citations

Quantum Control of Atom-Ion Charge Exchange via Light-Induced Conical Intersections

Hui Li, Ming Li, Alexander Petrov +2 more

High Resolution Image Download MS PowerPoint Slide Conical intersections are crossing points or lines between two or more adiabatic electronic potential energy surfaces in the multidimensional coordinate space of colliding atoms and molecules. Conical intersections and corresponding nonadiabatic coupling can greatly affect molecular dynamics and chemical properties. In this paper, we predict significant or measurable nonadiabatic effects in an ultracold atom–ion charge-exchange reaction in the presence of laser-induced conical intersections (LICIs). We investigate the fundamental physics of these LICIs on molecular reactivity under unique conditions: those of relatively low laser intensity of 10 8 W/cm 2 and ultracold temperatures below 1 mK. We predict irregular interference effects in the charge-exchange rate coefficients between K and Ca + as functions of the laser frequency. These irregularities occur in our system due to the presence of two LICIs. To further elucidate the role of the LICIs on the reaction dynamics, we compare these rate coefficients with those computed for a system where the CIs have been “removed”. In the laser frequency window, where conical interactions are present, the difference in rate coefficients can be as large as 1 × 10 –9 cm 3 /s.

arXiv:2304.07571•The Journal of Physical Chemistry A•Jul 12, 2023•1 citation
Ultracold chemical reactions involve collision temperatures approaching absolute zero, and for molecular systems that exhibit a barrierless and exoergic reaction path significant reactivity can occur. In addition, many molecules contain a conical intersection, and the associated geometric phase has been shown to significantly alter the outcome of ultracold reactions. Here we report a quantum dynamics study for the ultracold O + OH → H + O 2 reaction. An analysis of the scattering wave functions reveals explicitly the nature of the quantum interference between the direct and looping reaction pathways around the conical intersection and thus illustrates how the reaction proceeds under the control of the geometric phase for the first time. The wave function analysis should generalize to other ultracold reactions that contain a conical intersection. Our findings indicate that quantum control techniques such as an optical lattice trap or the initial state orientation may be effective in controlling the reactivity.
The role of the geometric phase effect in chemical reaction dynamics has long been a topic of active experimental and theoretical investigations. The topic has received renewed interest in recent years in cold and ultracold chemistry where it was shown to play a decisive role in state-to-state chemical dynamics. We provide a brief review of these developments focusing on recent studies of O + OH and hydrogen exchange in the H + H 2 and D + HD reactions at cold and ultracold temperatures. Non-adiabatic effects in ultracold chemical dynamics arising from the conical intersection between two electronic potential energy surfaces are also briefly discussed. By taking the hydrogen exchange reaction as an illustrative example it is shown that the inclusion of the geometric phase effect captures the essential features of non-adiabatic dynamics at collision energies below the conical intersection.
High Resolution Image Download MS PowerPoint Slide Conical intersections are crossing points or lines between two or more adiabatic electronic potential energy surfaces in the multidimensional coordinate space of colliding atoms and molecules. Conical intersections and corresponding nonadiabatic coupling can greatly affect molecular dynamics and chemical properties. In this paper, we predict significant or measurable nonadiabatic effects in an ultracold atom–ion charge-exchange reaction in the presence of laser-induced conical intersections (LICIs). We investigate the fundamental physics of these LICIs on molecular reactivity under unique conditions: those of relatively low laser intensity of 10 8 W/cm 2 and ultracold temperatures below 1 mK. We predict irregular interference effects in the charge-exchange rate coefficients between K and Ca + as functions of the laser frequency. These irregularities occur in our system due to the presence of two LICIs. To further elucidate the role of the LICIs on the reaction dynamics, we compare these rate coefficients with those computed for a system where the CIs have been “removed”. In the laser frequency window, where conical interactions are present, the difference in rate coefficients can be as large as 1 × 10 –9 cm 3 /s.