Atomic and molecular data for electron-driven collisional processes in weakly ionized media and astrophysical plasmas

• Novel calculations of dissociative recombination rates for H 2 + , H e 2 + , and L i 2 + . • Extended dissociative recombination analysis across astrophysically relevant temperature and quantum number ranges. • Innovative logarithmic polynomial formula simplifies rate predictions. • Precise theoretical data enhancing spectral modeling in cold plasmas. • Presented datasets enabling advanced simulations and machine-learning models. This paper highlights the increasing importance of atomic and molecular data for interpretation, diagnostics, and the development of models and simulations of complex physical processes. Specifically, we focus on the analysis of collisional processes, i.e., electron-driven processes which involve small molecules such as hydrogen, helium, lithium, and molecular ions, all of which play an important role in modeling various systems. Accurate data allows for the simulation of spectral properties and other characteristics. We have calculated dissociative recombination rate coefficients across a wide range of parameters ( 3 ≤ n ≤ 20 and 500 K ≤ T ≤ 30 , 000 K ), providing valuable datasets applicable to multiple scientific fields. The analysis of these rates offers insights into the presence of molecular ions and provides information on excited-state populations, ionization levels, and optical properties in weakly ionized media and cold astrophysical plasmas. These findings enhance our understanding of chemistry and modeling of such environments.