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[Licence| Download | New Version Template] aahg_v1_0.gz(118 Kbytes) | ||
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Manuscript Title: A new version of the general program to calculate atomic continuum
processes using the R-matrix method. | ||

Authors: K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan | ||

Program title: A NEW VERSION OF RMATRX STG2 | ||

Catalogue identifier: AAHG_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 14(1978)367 | ||

Programming language: Fortran. | ||

Computer: IBM 360/195. | ||

Operating system: OS/360 MVT-HASP. | ||

RAM: 628K words | ||

Word size: 8 | ||

Peripherals: magnetic tape, disc. | ||

Keywords: Atomic physics, Electron-atom, Scattering, Electron-ion, 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, Photon. | ||

Classification: 2.4, 2.5. | ||

Subprograms used: | ||

Cat
Id | Title | Reference |

AAHF_v1_0 | A NEW VERSION OF RMATRX STG1 | CPC 14(1978)367 |

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

Other versions: | ||

Cat
Id | Title | Reference |

AAHB_v1_0 | RMATRX STG2 | CPC 8(1974)150 |

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

ADCP_v1_0 | RMATRX1 | CPC 92(1995)290 |

Nature of problem:This program reads the radial integrals stored on a magnetic tape or disc file by A NEW VERSION of 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 L,S and the channel quantum numbers. These quantities are stored on a magnetic tape or disc file for use by A NEW VERSION of RMATRX STG3. | ||

Solution method:The triangular relations are used to determine 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 A NEW VERSION OF RMATRX STG1. | ||

Restrictions:Up to 20 continuum orbitals can be included for each angular momentum up to l = 14. This number can be increased by recompling with larger dimensions. The program assumes that L and S are good quantum numbers neglects effects due to the spin-orbit interaction. | ||

Running time:The running time depends on the square of the number of shells and the number of configurations included. The test run took 6 s on the IBM 360/195. |

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