HD–H⁺ collisions: statistical and quantum state-to-state studies

Abstract

In the early Universe, the cooling mechanisms of the gas significantly rely on the HD abundance and excitation conditions. A proper modeling of its formation and destruction paths as well...

Benchmarking an improved statistical adiabatic channel model for competing inelastic and reactive processes

“…As discussed in Ref. 45, excellent agreement was found between the new close-coupling results and the SACM results for these processes, characterized by an error factor of less than 2. In fact, the largest differences reported were less than 65 %.…”

“…In contrast to the H + 3 isotopic variant discussed in III A, the insertion reaction for this system is slightly endothermic by ∼ 39.5 meV due to the difference in vibrational zero-point energies of H 2 and HD, and the different ionisation energies of H and D 43,44 . Time-independent quantum scattering calculations for this system were recently performed by Desrousseaux et al 45 , utilizing the close-coupling method. Accurate CC rate coefficients are available for rotational (de)excitation and for the reaction, and these results were used to investigate the performance of the SACM-inspired method for this system.…”

Benchmarking an improved statistical adiabatic channel model for competing inelastic and reactive processes

“…Time-independent quantum scattering calculations for this system were recently performed by Desrousseaux et al 45 , utilizing the close-coupling method. Accurate CC rate coefficients are available for rotational (de)excitation and for the reaction, and these results were used to investigate the performance of the SACM-inspired method for this system.…”

Collisional energy transfer in the CO–CO system

“…This method was tested and compared with exact quantum calculations and showed excellent agreement especially in low temperatures regime. [16][17][18] Our paper is organized as follows: In Section 2, we present the methodology of our work. Section 3 discusses our results using quantum-mechanical and statistical approaches to scattering calculations.…”

“…This method was tested and compared with exact quantum calculations and showed excellent agreement especially in low temperatures regime. 16–18…”