Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR CNRS 5209, Université de Bourgogne, 21078 Dijon Cedex, France.
Phys Rev Lett. 2011 Jul 8;107(2):023201. doi: 10.1103/PhysRevLett.107.023201. Epub 2011 Jul 5.
We report extensive, accurate fully quantum, time-independent calculations of cross sections at low collision energies, and rate coefficients at low temperatures for the H⁺ + H₂(v = 0, j) → H⁺ + H₂(v = 0, j') reaction. Different transitions are considered, especially the ortho-para conversion (j = 1 → j' = 0) which is of key importance in astrophysics. This conversion process appears to be very efficient and dominant at low temperature, with a rate coefficient of 4.15 × 10⁻¹⁰ cm³ molecule⁻¹ s⁻¹ at 10 K. The quantum mechanical results are also compared with statistical quantum predictions and the reaction is found to be statistical in the low temperature regime (T < 100 K).
我们报告了广泛而准确的全量子、非时变计算，涉及低碰撞能下的截面以及低温下 H⁺ + H₂(v = 0, j) → H⁺ + H₂(v = 0, j')反应的速率系数。不同的跃迁都被考虑在内，特别是在天体物理学中具有关键重要性的正-仲转换（j = 1 → j' = 0）。在低温下，这个转换过程似乎非常有效且占主导地位，在 10 K 时的速率系数为 4.15 × 10⁻¹⁰ cm³ 分子⁻¹ s⁻¹。量子力学的结果也与统计量子预测进行了比较，并且发现该反应在低温区（T < 100 K）下是统计性的。
