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[Licence| Download | New Version Template] aahg_v1_0.gz(118 Kbytes)
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_0
Distribution 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.