论文标题
从数值散射数据中提取共振杆：IIIIPADè重建
Extracting resonance poles from numerical scattering data: type-II Padè reconstruction
论文作者
论文摘要
我们提出了一个Fortran 77代码，用于评估复杂能量（CE）以及复杂的角动量（CAM）平面中数值散射基质元件的共振位置和残基。 S-Matrix元素的分析延续是通过从给定的物理值中构建近似IIpadé的类型padé[Bessis等人（1994）。 Vrinceanu等（2000）； Sokolovski和Msezane（2004）]。该算法通过提取其快速振荡的潜在相分量来涉及数值数据的迭代“预处理”。该代码具有在数值数据中添加非分析噪声以选择“真”物理极，研究其稳定性并评估重建的准确性。它可以选择使用多个特定软件（MPFUN）软件包[Bailey（1993）]由D. H. Bailey开发的，无论涉及大量的输入部分波（能量）而导致双重精度计算失败。该软件包已在多种模型以及F+H2-> HF+H，F+HD-> HF+D，Cl+HCl-> ClH+Cl和H+D2-> HD+D反应中成功测试。文本中给出了一些详细的示例。 PACS：34.50.lf，34.50.pi
We present a FORTRAN 77 code for evaluation of resonance pole positions and residues of a numerical scattering matrix element in the complex energy (CE) as well as in the complex angular momentum (CAM) planes. Analytical continuation of the S-matrix element is performed by constructing a type-II Padé approximant from given physical values [Bessis et al (1994); Vrinceanu et al (2000); Sokolovski and Msezane (2004)] . The algorithm involves iterative "preconditioning" of the numerical data by extracting its rapidly oscillating potential phase component. The code has the capability of adding non-analytical noise to the numerical data in order to select "true" physical poles, investigate their stability and evaluate the accuracy of the reconstruction. It has an option of employing multiple-precision (MPFUN) package [Bailey (1993)] developed by D. H. Bailey wherever double precision calculations fail due to a large number of input partial wave (energies) involved. The package has been successfully tested on several models, as well as theF+H2->HF+H,F+HD->HF +D,Cl+HCl->ClH+Cl and H+D2->HD+D reactions. Some detailed examples are given in the text. PACS:34.50.Lf,34.50.Pi
