Transport cross sections and collision integrals for O(3P)–H(2S), O(1D)–H(2S), O(1S)–H(2S) interactions

Transport properties for collisions between oxygen atoms and hydrogen atoms are important for studying planetary atmospheres and various plasma applications, and transport coefficients can be expressed as a linear combination of collision integrals. In this study, we use high-level ab initio methods to calculate potential energy curves (PECs) of OH over internuclear distances ranging from 0.2 to 9.0 Å, with a focus on the short-range region. The PECs are then used to calculate transport cross sections and collision integrals for O(3P)–H(2S), O(1D)–H(2S), and O(1S)–H(2S) interactions using both classical and semiclassical methods. Transport cross sections are calculated for collision energies ranging from 10−5 to 10 Hartree. Collision integrals are provided at 500 to 50 000 K. The results support the calculation of transport coefficients in a third-order approximation. The collision data for O(1D)–H(2S) and O(1S)–H(2S) interactions are provided for the first time. The transport cross sections and collision integrals provided are helpful for modeling oxygen–hydrogen plasmas and atmospheric phenomena.