论文标题
弹性，非弹性和反应性状态横截面中共振结构的数值重孔分析
Numerical Regge pole analysis of resonance structures in elastic, inelastic and reactive state-to-state integral cross sections
论文作者
论文摘要
我们介绍了fortran代码的详细说明，以评估regge轨迹在指定的能量范围内对整体状态到状态横截面（ICS）做出的共振贡献。借助mulholland公式[Macek等（2004）]及其变体[Sokolovski等（2007）评估了贡献。 Sokolovski和Akhmatskaya（2011）]。通过分析持续的S-Matrix元素获得regge Pole的位置和残基，该元素使用Pade II程序[Sokolovski et al（2011）]进行了数值评估的总角动量的物理值进入复杂的角动量平面。该代码将弹性，非弹性或反应性IC分解为结构化的，共振和平滑的“直接”，组件和属性，观察到的共振结构可共振轨迹。该软件包已在多种模型以及F + H2-> HF + H基准反应上成功测试。文本中给出了几个详细的示例。
We present a detailed description of a FORTRAN code for evaluation of the resonance contribution a Regge trajectory makes to the integral state-to-state cross section (ICS) within a specified range of energies. The contribution is evaluated with the help of the Mulholland formula [Macek et al (2004)] and its variants [Sokolovski et al (2007); Sokolovski and Akhmatskaya (2011)]. Regge pole positions and residues are obtained by analytically continuing S-matrix element, evaluated numerically for the physical values of the total angular momentum, into the complex angular momentum plane using the PADE II program [Sokolovski et al (2011)]. The code decomposes an elastic, inelastic, or reactive ICS into a structured, resonance, and a smooth, "direct", components, and attributes observed resonance structure to resonance Regge trajectories. The package has been successfully tested on several models, as well as the F + H2->HF+H benchmark reaction. Several detailed examples are given in the text.
