HeH⁺ Collisions with H₂: Rotationally Inelastic Cross Sections and Rate Coefficients from Quantum Dynamics at Interstellar Temperatures.

ABSTRACT: We report for the first time an accurate ab initio potential energy surface for the HeH⁺-H₂ system in four dimensions (4D) treating both diatomic species as rigid rotors. The computed ab initio potential energy point values are fitted using an artificial neural network method and used in quantum close coupling calculations for different initial states of both rotors, in their ground electronic states, over a range of collision energies. The state-to-state cross section results are used to compute the rate coefficients over a range of temperatures relevant to interstellar conditions. By comparing the four dimensional quantum results with those obtained by a reduced-dimensions approach that treats the H₂ molecule as an averaged, nonrotating target, it is show

SUBMITTER: Giri K 

PROVIDER: S-EPMC9014418 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature