Effects of rovibrational excitation of LiH on the LiH depletion and H exchange channels for the reaction H (2S) + LiH (X1Σ

Theoretical Study of the Energy Disposal Mechanism and the State-Resolved Quantum Dynamics of the H + LiH+ → H2 + Li+ Reaction

“…The collisions of a H atom and a H + ion with the LiH molecule and its cationic counterpart LiH + are believed to be important in primordial lithium chemistry. − These collisions are also considered to play a significant role in the cooling process of the early universe during its evolution. As a result, the chemistry of LiH 2 and LiH 2 + has received a great deal of attention in the past two decades. − ,− According to the study of Bodo et al, the H + LiH + → H 2 + Li + reaction is one of the depletion processes for the LiH + ion along with the collision induced dissociation (CID). However, the other two channels, viz., hydrogen exchange and non-reactive, are responsible for the survival of the ionic LiH + species.…”

Combined Quantum Mechanical and Quasi-Classical State-to-State Dynamical Study on the Isotopic Effect in H/D + LiH+/LiD+ → H2/HD/D2 + Li+ Reactions

“…For the reactions involving heavier atoms or reactions having a barrierless exoergic nature, these effects are not prominent, and thus, a better agreement between the QM-CC and QCT results is expected, which is also observed in other studies. 26,27,60 In the case of the current reaction system, not only is it barrierless in nature but also the well present in the reaction path is very shallow (≈0.286 eV below the product asymptote). Due to the shallow nature of the well, the QM resonance oscillations are not too strong and almost disappeared with partial wave summation, facilitating a good agreement between the QM-CC and QCT results for the reactions in whole collision energy range.…”

“…As far as other reaction systems are concerned, the comparison on the [NeHeH] + system for, Ne + HeH + → NeH + + He, a barrierless exoergic reaction, was performed for total reaction probability, total ICSs, and rate constant, and a good agreement was found. 26 Another barrierless exoergic reaction, H + LiH → H 2 + Li, was also studied by Wang et al 27 in the collision energy range 0.02−0.56 eV. The QCT total reaction probability, total ICSs, and DCSs calculated in their study were compared with the different QM-CC results on the same LiH 2 PES.…”

The influence of collision energy on magnetically tuned 6Li-6Li Feshbach resonance

“…[12] Due to these properties, cold and ultracold molecules have many profound applications in different aspects, [13] including molecular dynamics control, [14,15] high resolution spectroscopy and quantum control, [16,17] tests of fundamental physical laws, [18] quantum simulations and quantum simulators, [19] chemical reactions. [20,21] Cold and ultracold molecules also play important roles in a great variety of fundamental researches, such as chemistry physics, precision measurements, few-body and many-body physics. [22][23][24][25] Thus, the investigations of the cold and ultracold molecules attract many researchers' attention.…”