Scattering cross sections and collision integrals for N(4S)–N+(3P) and N(4S)–N+(1D) interactions

Abstract

Collisions between nitrogen (N) and nitrogen ion (N+) are fundamental phenomena in the Earth and planetary atmospheres. In this work, we carried out a theoretical study of collision data for N(4S)–N+(3P) and N(4S)–N+(1D) interactions, including scattering cross sections and collision integrals. Potential energy curves of N2+ are obtained using the state-of-the-art ab initio method and then used to provide the input for calculations of resonant charge exchange and elastic cross sections. The inelastic (corresponding to the resonant charge exchange process), elastic, and total collision integrals for N(4S)–N+(3P) and N(4S)–N+(1D) interactions are computed at 500 − 50 000 K. An analysis of the collision integrals shows that the elastic collision process should not be neglected for odd-order collision interactions at low temperatures and still makes a small contribution at high temperatures. Note that this is the first time that the cross sections and collision integrals for the N(4S)–N+(1D) interaction are calculated using ab initio potential energy points. The obtained cross sections and collision integrals are essential to model the transport properties of the related plasmas.

Transport Cross Sections and Collision Integrals for O($$^{3}$$P)–O($$^{3}$$P) Interaction

“…This confirms the good quality of older data at higher temperatures, especially when compared with other data not calculated directly from ab initio PECs [31]. The verification of usually reasonable quality of Stallcop et al collision integrals with novel ab initio PECs are known for: the N-H interaction were difference less than 3% was found above 1000K [1] and the N-N interaction where the difference was up to 5% (even at 500 K) [32], higher discrepancies are found at some temperatures for the N-N + system [33].…”