The ultracold state-to-state chemistry for three-body recombination (TBR) in realistic systems has recently been experimentally investigated with full quantum state resolution. However, many detected phenomena remain challenging to be explored and explained from the theoretical viewpoints because this generally requires computational powers beyond state of the art. Here, the product-state distributions after TBR of He-alkaline-earth-metal systems, i.e., after the processes of He + He + X → HeX + He with X being Be, Mg, Ca, Sr, or Ba, in the zero-collision-energy limit are theoretically studied. Two propensity rules for the distribution of the products found in current experiments have been checked, and the mechanism underlying these product-state distributions is explored. Particularly, two main intriguing transition pathways are identified, which may be responsible for the nonlinear distribution of the products vs their respective rotational quantum number. In addition, the TBR rates of these systems are also influenced by details of the interaction potential and relevant nonadiabatic couplings.
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http://dx.doi.org/10.1063/5.0090243 | DOI Listing |
Molecules
July 2024
School of Physics and Electronic Technology, Liaoning Normal University, Dalian 116029, China.
J Chem Phys
May 2023
Departamento de Química Física, Facultad de Química, Universidad Complutense, 28040 Madrid, Spain.
Reactive and elastic cross sections and rate coefficients have been calculated for the S(1D) + D2(v = 0, j = 0) reaction using a modified hyperspherical quantum reactive scattering method. The considered collision energy ranges from the ultracold regime, where only one partial wave is open, up to the Langevin regime, where many of them contribute. This work presents the extension of the quantum calculations, which in a previous study were compared with the experimental results, down to energies in the cold and ultracold domains.
View Article and Find Full Text PDFJ Chem Phys
July 2022
Department of Physics, Dalian University of Technology, Dalian 116024, China.
The ultracold state-to-state chemistry for three-body recombination (TBR) in realistic systems has recently been experimentally investigated with full quantum state resolution. However, many detected phenomena remain challenging to be explored and explained from the theoretical viewpoints because this generally requires computational powers beyond state of the art. Here, the product-state distributions after TBR of He-alkaline-earth-metal systems, i.
View Article and Find Full Text PDFJ Phys Chem A
June 2022
Department of Chemistry, University of Missouri, Columbia, Missouri 65211, United States.
Inelastic scattering processes have proven a powerful means of investigating molecular interactions, and much current effort is focused on the cold and ultracold regime where quantum phenomena are clearly manifested. Studies of collisions of the open shell nitric oxide (NO) molecule have been central in this effort since the pioneering work of Houston and co-workers in the early 1990s. State-to-state scattering of vibrationally excited molecules in the cold regime introduces challenges that test the suitability of current theoretical methods for determination of intermolecular potentials, and concomitant electronically nonadiabatic processes raise the bar further.
View Article and Find Full Text PDFPhys Rev Lett
April 2022
Institut für Quantenmaterie and Center for Integrated Quantum Science and Technology IQST, Universität Ulm, D-89069 Ulm, Germany.
We explore the physical origin and the general validity of a propensity rule for the conservation of the hyperfine spin state in three-body recombination. This rule was recently discovered for the special case of ^{87}Rb with its nearly equal singlet and triplet scattering lengths. Here, we test the propensity rule for ^{85}Rb for which the scattering properties are very different from ^{87}Rb.
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