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首页> 外文期刊>Computer physics communications >Numerical Regge pole analysis of resonance structures in elastic, inelastic and reactive state-to-state integral cross sections
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Numerical Regge pole analysis of resonance structures in elastic, inelastic and reactive state-to-state integral cross sections

机译：弹性，非弹性和反应态对状态积分截面中共振结构的数值Regge极点分析

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Wepresent 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 various models, as well as the F + H_2 → HF + H benchmark reaction. Several detailed examples are given in the text.
机译：我们给出FORTRAN码的详细描述，以评估Regge轨迹在指定能量范围内对积分状态到状态截面（ICS）的共振贡献。借助Mulholland公式（Macek等，2004）及其变体（Sokolovski等，2007; Sokolovski和Akhmatskaya，2011）评估贡献。使用PADE_II程序，通过分析连续的S矩阵元素（对总角动量的物理值进行数值评估）到复角动量平面，即可获得Regge极位置和残基（Sokolovski等，2011）。该代码将弹性的，非弹性的或反应性的ICS分解为结构化的共振和平滑的“直接”分量，并将观察到的共振结构归因于共振Regge轨迹。该包装已在各种型号以及F + H_2→HF + H基准反应中成功测试。文中给出了几个详细的例子。

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