Elastic and inelastic low-energy electron collisions with PH₂, PF₂ and PCl₂ radicals

Abstract

Ab initio scattering calculations for low-energy electron collisions with PH2, PF2, and PCl2 are performed using the R-matrix method in this study. The elastic integral, differential, and momentum transfer cross sections and the excitation cross sections from the ground state to the five low-lying electron excited states are presented in the energy region of 0.01–15 eV. The target states are represented by including correlations via a configuration interaction technique. The resonant states are detected and identified. The sensitivity of the results to changes in the theoretical model is checked by comparing predictions from a variety of approximations including static exchange, one state close-coupling (CC), and many-state CC approximations. The similarities and differences among the resonances of these three radicals are discussed.

Theoretical study of low-energy electron collision with normal-pentane using R-matrix method

“…In general, a reasonable agreement in magnitude can be seen except for the scattering energy of 1eV, where our computed DCS shows mostly a forward scattering in contrast to the experimental curve. This may be attributed to the slight divergence that is usually seen in a forward scattering direction for molecules with a dipole moment [32]. The SEP DCSs are slightly lower than the CC DCSs at a small scattering angle below 5 eV due to the underestimated dipole moment in the SEP model.…”

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

“…There are several ways to solve such equations, including the multichannel quantum-defect theory (MQDT), the asymptotic bound state model (ABM), and the coupled-channel method (CC). [32,62] Among these theoretical treatments, the CC method has taken into account all the relevant channels and the interactions among them in the entire internuclear separation range. Thus, in this work, we use CC method to calculate the cross sections of the resonance positions at different collision energies from 1 µK • k B to 100 µK • k B .…”