reskit: A toolkit to determine the poles of an S-matrix
reskit: A toolkit to determine the poles of an S-matrix
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reskit：确定 S 矩阵极点的工具包
DOI：
10.1016/j.cpc.2019.01.007
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发表时间：
2019
影响因子：
6.3
通讯作者：
Bingham P
中科院分区：
文献类型：
--
作者：
Bingham P
我们提出了python packageskit，开发用于通过Padé近似计算物理系统的S-矩阵的解析延拓的系数，并从该拟合确定该S-矩阵的复极点。该程序的当前实现仅限于弹性散射，即所有通道具有相同能量的情况。它已被测试使用作为inputab initioscattering数据的电子-分子碰撞获得的能量沿着真实的轴。程序摘要程序标题：reskit程序文件doi：http://dx.doi.org/10.17632/p47yys8wpm.1Licensing条款：MIT编程语言：Python 2.7问题的性质：系统的S-矩阵通常计算为真实的能量的函数（例如通过改变散射过程中的弹丸动能）。确定它的复极点需要在黎曼面上进行某种外推，将复平面上的总能量与动量联系起来。该程序确定拟合多项式S-矩阵的复极点，以识别其共振态、束缚态和虚态。求解方法：该程序基于Rakityansky和合作者[1]开发的方法，其中使用Padé近似来拟合提供的S-矩阵数据，确定为真实的能量的函数。用Jost形式表示S-矩阵，通过确定Jost矩阵行列式的根的稳定性，可以找到S-矩阵的一般复极点，因为S-矩阵数据对于越来越多的能量用于拟合。附加注释，包括限制和不寻常的特征：当前的实现要求所有的沟道/状态具有相同的能量并且不存在长程库仑相互作用势。这些限制中的第一个导致简化的S-矩阵，其仅被定义为复平面中的动量的函数。[1]P. Ogunbade，S. Rakityansky，S-矩阵参数化作为定位量子共振和束缚态的一种方式：多通道情况，在：第二届南非- JINR研讨会论文集，少体和多体系统的模型和方法，JINR，2010，52-61。
We present the python packagereskit, developed to calculate the coefficients of an analytical continuation of the S-matrix of a physical system by means of Padé approximants and, from this fit, determine the complex poles of this S-matrix.The current implementation of the program is restricted to elastic scattering, i.e. cases in which all channels have the same energy. It has been tested using as inputab initioscattering data for electron–molecule collisions obtained for energies along the real axis. The identification and characterisation of the resonances present in the systems using reskit is described and discussed.Program summaryProgram Title:reskitProgram Files doi:http://dx.doi.org/10.17632/p47yys8wpm.1Licensing provisions:MITProgramming language:Python 2.7Nature of problem:the S-matrix of a system is usually calculated as a function of real energy (for example by varying the kinetic energy of a projectile in a scattering process). Locating its complex poles requires some type of extrapolation on the Riemann sheets relating the total energy, in the complex plane, to the momentum. The program determines the complex poles of the fitted polynomial S-matrix that identify its resonant, bound and virtual states.Solution method:the program is based on the method developed by Rakityansky and collaborators [1] in which a Padé approximant is used to fit provided S-matrix data, determined as a function of a real energy. Expressing the S-matrix in the Jost form, the generally complex poles of the S-matrix can be found by determining the stability of the roots of the determinant of the Jost matrix as S-matrix data for an increasing number of energies are used for the fit.Additional comments including restrictions and unusual features: the current implementation requires that all channels/states have the same energy and that no long-range Coulomb interaction potential is present. The first of these restrictions results in a simplified S-matrix that is defined solely as a function of the momentum in the complex plane.[1] P. Ogunbade, S. Rakityansky, S-matrix parametrization as a way of locating quantum resonances and bound states: multichannel case, in: Proceedings of the 2nd South Africa - JINR SYMPOSIUM, Models and Methods in Few- and Many-Body Systems, JINR, 2010, 52–61.
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发表时间：
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期刊：
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