Transport cross sections and collision integrals for C+(2P)–H(2S), C(3P)–H+(1S), C(1D)–H+(1S), and C+(4P)–H(2S) interactions

Abstract

Transport collision integrals of interacting atoms or ions play a crucial role in modeling transport properties of high-temperature gases and plasmas. Here, we obtained the potential energy curves (PECs) of CH+ using the internally contracted multireference configuration interaction method with the Davidson correction (icMRCI+Q) method. The PECs were then used to investigate the transport cross sections and transport collision integrals for the C+(2P)–H(2S), C(3P)–H+(1S), C(1D)–H+(1S), and C+(4P)–H(2S) interactions using the classical mechanical approach and a quantum mechanical treatment of the scattering with Wentzel–Kramers–Brillouin approximations of the scattering phase shifts. The transport cross sections were obtained in the collision energy of 10−6–1 hartree, which were used to compute transport collision integrals for C–H+ and C+–H systems over the temperature range of 500–40 000 K. The C(1D)–H+(1S) and C+(4P)–H(2S) interactions are considered for the first time. Our transport collision integrals can provide data references for computing transport properties of high-temperature plasmas involving C and H atoms/ions.