An accurate Fortran code for computing hydrogenic continuum wave functions at a wide range of parameters
An accurate Fortran code for computing hydrogenic continuum wave functions at a wide range of parameters
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DOI：
10.1016/j.cpc.2010.08.034
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发表时间：
2010-12
期刊：
影响因子：
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通讯作者：
Liang-You Peng;Q. Gong
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文献类型：
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作者：
Liang-You Peng;Q. Gong
类氢连续波函数的精确计算在电子-原子碰撞、冷原子物理、强激光场中的原子电离等物理分支中具有十分重要的意义。虽然已有各种算法和程序，但大多数算法和程序都只在一定的参数范围内可靠。在某些实际应用中，需要在极低能量、大径向距离和/或大角动量数下计算精确的连续波函数。在这里，我们提供了这样一个程序，它可以产生精确的类氢连续波函数和相应的库仑相移在很宽的参数范围。在不对角动量数作任何必要限制的情况下，本程序能在电子能量范围[10− 3，103] eV，径向距离[10− 2，104] a.u.我们还发现，目前的代码是非常有效的，它应该找到许多领域，如强场物理的应用。项目摘要：项目名称：HContinuumGautchi目录标识符：AEHD_v1_0项目摘要URL：http://cpc.cs.qub.ac.uk/summaries/AEHD_v1_0.html项目可从以下网站获得：CPC项目图书馆，皇后大学，贝尔法斯特，N。爱尔兰许可条款：标准CPC许可证，http://cpc.cs.qub.ac.uk/licence/licence.html分布式程序中的行数，包括测试数据等：1233分布式程序字节数，包括测试数据等：7405发行格式：tar.gz编程语言：Fortran 90固定格式计算机：AMD处理器操作系统：Linux RAM：20 MBytes分类：2.7，4.5问题性质：原子连续波函数的精确计算在许多研究领域，如强场物理和冷原子物理中是非常重要的。虽然已有各种算法和程序，但大多数算法和程序只能在一定的参数范围内适用和可靠。本文给出了一个计算类氢连续波函数的精确的FORTRAN程序，它能满足大多数实际应用的需要。计算了库仑相位。对于任何给定的动量、径向点和最大的角动量数，代码将一次计算所有的角分量。我们所采用的算法已由Gautchi [1，2]详细给出，他提出了一般三项递推关系的稳定极小解。求解方法：W.提出的三项递推关系的最小解。Gautchi [1，2].运行时间：几秒到几分钟，取决于需要计算多少不同的波函数。参考文献：
The accurate computations of hydrogenic continuum wave functions are very important in many branches of physics such as electron-atom collisions, cold atom physics, and atomic ionization in strong laser fields, etc. Although there already exist various algorithms and codes, most of them are only reliable in a certain ranges of parameters. In some practical applications, accurate continuum wave functions need to be calculated at extremely low energies, large radial distances and/or large angular momentum number. Here we provide such a code, which can generate accurate hydrogenic continuum wave functions and corresponding Coulomb phase shifts at a wide range of parameters. Without any essential restrict to angular momentum number, the present code is able to give reliable results at the electron energy range [10−3,103] eV for radial distances of [10−2,104] a.u. We also find the present code is very efficient, which should find numerous applications in many fields such as strong field physics. PROGRAM SUMMARY: Program title: HContinuumGautchi Catalogue identifier: AEHD_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHD_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1233 No. of bytes in distributed program, including test data, etc.: 7405 Distribution format: tar.gz Programming language: Fortran90 in fixed format Computer: AMD Processors Operating system: Linux RAM: 20 MBytes Classification: 2.7, 4.5 Nature of problem: The accurate computation of atomic continuum wave functions is very important in many research fields such as strong field physics and cold atom physics. Although there have already existed various algorithms and codes, most of them can only be applicable and reliable in a certain range of parameters. We present here an accurate FORTRAN program for calculating the hydrogenic continuum wave functions in a very wide range of parameters, which suffices the needs of most practical applications. The Coulomb phases are also calculated. For any given momentum, radial point, and the largest angular momentum number, the code calculates all the angular components at once. The algorithm we adopt has been given in details by Gautchi [1,2], who suggested a stable minimal solution of general three term recurrence relations. Solution method: Minimum solution of three-term recurrence relations developed by W. Gautchi [1,2]. Running time: A few seconds to a few minutes, depending how many different wave functions one needs to calculate. References: