Computer Physics Communications Program LibraryPrograms in Physics & Physical Chemistry |

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Manuscript Title: A general program to calculate atomic continuum processes using the
NIEM method. | ||

Authors: R.J.W. Henry, S.P. Rountree, E.R. Smith | ||

Program title: NIEM ASYM3 | ||

Catalogue identifier: AAJI_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 23(1981)233 | ||

Programming language: Fortran. | ||

Computer: IBM 3033. | ||

Operating system: JES2. | ||

RAM: 232K words | ||

Word size: 32 | ||

Keywords: Atomic physics, Electron atom Scattering, Electron ion scattering, Asymptotic solutions, Reactance matrices. | ||

Classification: 2.4. | ||

Subprograms used: | ||

Cat
Id | Title | Reference |

AAJG_v1_0 | NIEM POTC1 | CPC 23(1981)233 |

AAJH_v1_0 | NIEM NIES2 | CPC 23(1981)233 |

ACWN_v1_0 | 0001 GRN2 | CPC 23(1981)233 |

Nature of problem:Reactance K-matrices at infinity are calculated from Wigner R-matrices or reactance K-matrices which are given at a radial boundary R1STOP, either by the user or are passed by NIEM NIES2. | ||

Solution method:An integral equation method is used to solve the coupled differential equations from R1STOP to a larger radial boundary R2STOP. The regular and irregular Green's function for the method are calculated by GRN2. A projection method is used to obtain the K-matrix elements at infinity from those calculated at R2STOP. | ||

Restrictions:Up to six scattering channels for each total angular momentum can be included. Larger calculations can be made by recompiling with larger dimensions. | ||

Running time:The test run took 0.80 s on the IBM 3033. |

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