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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_0
Distribution 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.