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Manuscript Title: A general program to calculate atomic continuum processes
incorporating model potentials and the Breit-Pauli Hamiltonian within
the R-matrix method. | ||

Authors: N.S. Scott, K.T. Taylor | ||

Program title: RMATRX STG3R | ||

Catalogue identifier: AANV_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 25(1982)347 | ||

Programming language: Fortran. | ||

Computer: CRAY-1. | ||

Operating system: COS 1.09. | ||

RAM: 354K words | ||

Word size: 64 | ||

Peripherals: magnetic tape, disc. | ||

Keywords: Atomic physics, Electron-atom, Scattering, Photon, Electron-ion, Photoionization, R-matrix, Breit-pauli hamiltonian, Householder method, Eigenvalues, Eigenvectors, Cross-sections, Buttle correction, De vogelaere's method, Phase shift, K-matrix, T-matrix, Relativistic effects, Fine structure levels, Coupled differential Equations. | ||

Classification: 2.4, 2.5. | ||

Subprograms used: | ||

Cat
Id | Title | Reference |

AANR_v1_0 | RMATRX STG1R | CPC 25(1982)347 |

AANS_v1_0 | RMATRX STG2R | CPC 25(1982)347 |

AANT_v1_0 | RMATRX RECUP | CPC 25(1982)347 |

AANU_v1_0 | RMATRX RECUD | CPC 25(1982)347 |

Other versions: | ||

Cat
Id | Title | Reference |

AAHC_v1_0 | RMATRX STG3 | CPC 8(1974)150 |

AAHH_v1_0 | A NEW VERSION OF RMATRX STG3 | CPC 14(1978)367 |

ADCP_v1_0 | RMATRX1 | CPC 92(1995)290 |

Nature of problem:This program reads the Hamiltonian matrix, the asymptotic potential coefficients and dipole length and velocity matrices. If the calculation is in LS-coupling these have been calculated in RMATRX STG2R. If relativistic effects are included and cross sections between fine structure levels required they will have been calculated in RMATRX RECUP and RMATRX RECUD. The code then diagonalizes the Hamiltonian matrix and calculates the R-matrix and its Buttle correction. Then either the electron-atom or electron-ion cross section, the photoionization cross section or beta parameter is calculated for a range of incident energies or frequencies. | ||

Restrictions:Consult subroutine SETDIM of RMATRX STG3R to determine the current dimensions. | ||

Running time:The domainating factor is the number of channels and the time taken to solve the coupled differential equations. The test run took 30 s on a CRAY-1. |

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