Inelastic processes in collisions of H(+) ions with C, N, and O atoms below 1 keV

Abstract

Although electron capture reactions resulting from collisions of protons with carbon, nitrogen and oxygen atoms are known to play an important role in many fields, accurate rates of these collision processes are not well known yet. In this paper, electron capture cross sections and corresponding rate coefficients for the three target atoms (C, N, O) were calculated rigorously based on a molecular representation within a semi-classical framework for HC(+), HN(+), HO(+). The multireference single- and double-excitation configuration interaction (MRD-CI) method and a semi-classical molecular orbit expansion method with a straight-line trajectory of the incident ion were employed to study the collision dynamics. The rate coefficients for electron capture above 10,000 K resulting from collisions of H(+) ions with the target atoms were obtained.

炭素、窒素および酸素原子と陽子の衝突による電子捕獲反応は多くの分野で重要な役割を果たすことは知られているが、この衝突過程の正確な速度はまだよく判っていない。本論文では、炭素、窒素、酸素の3原子を標的とする電子捕獲断面積およびそれに対応する反応速度係数をHC(+)、HN(+)、HO(+)の半古典的な枠組での分子記述に基づき求めた。多参照単及び2重励起配置相互作用(MRD-CI)法および入射イオン直線軌道を用いた半古典的分子軌道展開法により衝突動力学を解明し、H(+)イオンと標的原子の衝突における10,000K以上の電子捕獲反応速度係数を求めた。