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

Authors: K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor | ||

Program title: RMATRX STG2 | ||

Catalogue identifier: AAHB_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 8(1974)149 | ||

Programming language: Fortran. | ||

Computer: ICL 1906A. | ||

Operating system: GEORGE 4. | ||

RAM: 96K words | ||

Word size: 24 | ||

Peripherals: disc. | ||

Keywords: Atomic physics, Electron-atom scattering, Electron-ion scattering, Photoionization, Polarizability, R-matrix, Hamiltonian matrix, Ionic, Racah coefficient, Fractional parentage Coefficient, Recoupling, Angular integral, Continuum, Bound, Ls coupling, Long range potentials, Dipole matrix elements, Scattering, Photon. | ||

Classification: 2.4, 2.5. | ||

Subprograms used: | ||

Cat
Id | Title | Reference |

ACQC_v2_0 | A NEW D SHELL C.F.P. | CPC 6(1973)88 |

ACQB_v1_0 | P SHELL C.F.P. | CPC 1(1969)15 |

ACQL_v2_0 | WEIGHTS NEW VERSION | CPC 2(1971)180 |

ACQL_v2_0 | 0001 ADAPT WEIGHTS FOR ONE-ELECT | CPC 7(1974)318 |

AAGD_v2_0 | A NEW VERSION OF NJSYM | CPC 8(1974)151 |

AAKF_v1_0 | REDUCED TENSOR MATRIX ELEMENTS | CPC 6(1973)132 |

AAHA_v1_0 | RMATRX STG1 | CPC 8(1974)149 |

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

ACRK_v1_0 | ASYM VERSION FOR ICL 1900 | CPC 5(1973)416 |

Other versions: | ||

Cat
Id | Title | Reference |

AAHG_v1_0 | A NEW VERSION OF RMATRX STG2 | CPC 14(1978)367 |

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

Nature of problem:This program reads the radial integrals stored on a permanent tape or disc file by RMATRX STG1. It then calculates the hamiltonian matrix elements, the asymptotic potential coefficients and the dipole length and velocity matrix elements from a given initial state to the final state specified by LS and the channel quantum numbers. These quantities are stored on a permanent tape or disc file for use by RMATRX STG3. | ||

Solution method:The triangular relations are used to deternmine the number of coupled channels given the value of L and S and the quantum numbers of the atomic states. The angular integrals are carried out using the methods of Racah algebra. These are then combined with the radial integrals evaluated by RMATRX STG1. | ||

Restrictions:Up to 20 continuum orbitals for each angular momentum can be included. This number can be increased by recompiling. The program assumes that L and S are good quantum numbers and neglects effects due to the spinn- orbit interaction. | ||

Running time:The running time depends on the square of the number of shells and the number of configurations included but in general a single run of STG2 is usually an order of magnitude or more shorter than the STG1 run. The test run took 25 s on the ICL 1906A. |

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