chemical reaction is the first ultracold atom-diatom chemical reaction for which experimental results have been reported for temperatures below 1 μK more than a decade ago. The reaction occurs through coupling with an excited electronic state that is accessible even in the ultracold limit. A previous quantum dynamics study, excluding nonadiabatic effects, has reported a rate coefficient that is about 35% below the experimental value. Here, we report the first nonadiabatic quantum dynamics study of this reaction and obtain rate coefficients in better agreement with experiments. Our results show that short-range dynamics mediated by coupling with the excited electronic state introduces quantum interference effects that influence both the state-to-state rate coefficients and the overall reaction rates.chemical reaction is the first ultracold atom-diatom chemical reaction for which experimental results have been reported for temperatures below 1 μK more than a decade ago. The reaction occurs through coupling with an excited electronic state that is accessible even in the ultracold limit. A previous quantum dynamics study, excluding nonadiabatic effects, has reported a rate coefficient that is about 35% below the experimental value. Here, we report the first nonadiabatic quantum dynamics study of this reaction and obtain rate coefficients in better agreement with experiments. Our results show that short-range dynamics mediated by coupling with the excited electronic state introduces quantum interference effects that influence both the state-to-state rate coefficients and the overall reaction rates.

The Journal of Physical Chemistry LettersJun 11, 20258 citations

Quantum effects in chemistry

Fabien Gatti

Sep 8, 20220 citations

Non-adiabatically driven quantum interference effects in the ultracold K + KRb $\longrightarrow$ Rb + K $_{2}$ chemical reactionNon-adiabatically driven quantum interference effects in the ultracold K + KRb $\longrightarrow$ Rb + K$_{2}$ chemical reaction

Humberto da Silva, Brian K. Kendrick, Hui Li +2 more

The K + KRb $\longrightarrow$ Rb + K $_{2}$ chemical reaction is the first ultracold atom-diatom chemical reaction for which experimental results have been reported for temperatures below 1 $μ$ K more than a decade ago. The reaction occurs through coupling with an excited electronic state that is accessible even in the ultracold limit. A previous quantum dynamics study, excluding non-adiabatic effects, has reported a rate coefficient that is about 35\% below the experimental value. Here, we report the first non-adiabatic quantum dynamics study of this reaction and obtain rate coefficients in better agreement with experiments. Our results show that short-range dynamics mediated by coupling with the excited electronic state introduces quantum interference effects that influence both the state-to-state rate coefficients and the overall reaction rates.The K + KRb $\longrightarrow$ Rb + K$_{2}$ chemical reaction is the first ultracold atom-diatom chemical reaction for which experimental results have been reported for temperatures below 1 $μ$K more than a decade ago. The reaction occurs through coupling with an excited electronic state that is accessible even in the ultracold limit. A previous quantum dynamics study, excluding non-adiabatic effects, has reported a rate coefficient that is about 35\% below the experimental value. Here, we report the first non-adiabatic quantum dynamics study of this reaction and obtain rate coefficients in better agreement with experiments. Our results show that short-range dynamics mediated by coupling with the excited electronic state introduces quantum interference effects that influence both the state-to-state rate coefficients and the overall reaction rates.

arXiv:2506.01831Jun 2, 20250 citations

On a quantum mechanical theory of absolute reaction rates

Sidney Golden

Il Nuovo CimentoSep 1, 19609 citations

Non-adiabatically driven quantum interference effects in the ultracold K + KRb

\longrightarrow

Rb + K

_{2}

chemical reaction

The K + KRb

\longrightarrow

Rb + K

_{2}

chemical reaction is the first ultracold atom-diatom chemical reaction for which experimental results have been reported for temperatures below 1

μ

K more than a decade ago. The reaction occurs through coupling with an excited electronic state that is accessible even in the ultracold limit. A previous quantum dynamics study, excluding non-adiabatic effects, has reported a rate coefficient that is about 35\% below the experimental value. Here, we report the first non-adiabatic quantum dynamics study of this reaction and obtain rate coefficients in better agreement with experiments. Our results show that short-range dynamics mediated by coupling with the excited electronic state introduces quantum interference effects that influence both the state-to-state rate coefficients and the overall reaction rates.