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    Dynamical evolution of quantum scattering in Li++H− mutual neutralization from the meV/u to the keV/u regime

    Kun Wang1, Yu Wang2,*, Xiao He Lin3, Yong Wu4, Yi Zhi Qu5,†, and Yu Kun Yang6,‡

    • *Contact author: wangy@tyust.edu.cn
    • †Contact author: yzqu@ucas.ac.cn
    • ‡Contact author: yangyukun@htu.edu.cn

    Phys. Rev. A 114, 042815 – Published 19 October, 2026

    DOI: https://doi.org/10.1103/nqp6-5jwv

    Abstract

    Using a fully quantum molecular-orbital close-coupling approach with ab initio potentials, we evaluate the dynamical evolution of reaction mechanisms in Li++H− mutual neutralization across collision energies from 10−3 to 103eV/u. At lower energies (≤0.1eV/u), long-range Coulomb focusing dictates the scattering dynamics, resulting in cross sections that approximately follow an E−1 dependence and yield a dominant Li(3s) capture channel. In the intermediate regime (0.1 to 10eV/u), coherent multipathway interference generates pronounced Stueckelberg oscillations. Above 10eV/u, short-range interactions within R<15.0a.u. likely activate additional transition pathways, driving multichannel redistribution toward the Li(3p) and Li(3d) states. Neglecting these inner-region dynamics underestimates the total cross section by 35% at 1000eV/u. These results reveal the limitations of conventional Landau-Zener descriptions across broad energy regimes and establish a unified quantum picture connecting long-range Coulomb capture, quantum interference, and short-range multichannel state redistribution in mutual neutralization processes.

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