Collision integrals for N+–N+, O+–O+, and N+–O+ interactions in air plasmas.

Ion–ion collisions play a crucial role in determining transport coefficients in the atmosphere of Earth. This study investigated collision integrals for N+(3P)–N+(3P,1D), O+(4S)–O+(4S, 2D), and O+(4S)–N+(3P, 1D) interactions based on the classical approach and real potentials in the temperature range of 1000–50 000 K. Accurate potential energy curves (PECs) are calculated by state-averaged complete active space self-consistent field and internally contracted multireference configuration interaction methods, employing the aug-cc-pwCV5Z-DK basis set with reasonable extrapolation. Moreover, this study considered the diabatic path to construct the PEC when the avoided crossings occur since the diabatic path is easier to follow. PECs for N+(3P)–N+(1D), O+(4S)–O+(2D), and O+(4S)–N+(1D) interactions and collision integrals based on the high-quality ab initio points for these interactions are investigated for the first time. This work aims to provide reliable data for predicting the transport properties for modeling the air plasma flow field. [ABSTRACT FROM AUTHOR]