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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 STG2R
Catalogue identifier: AANS_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: 183K words
Word size: 64
Peripherals: magnetic tape, disc.
Keywords: Atomic physics, Electron-atom, Scattering, Photon, Electron-ion, Photoionization, R-matrix, Hamiltonian matrix, Ionic, Racah coefficient, Coefficient of Fractional parantage, Recoupling, Angular integral, Continuum, Bound, Ls-coupling, Long range potentials, Dipole matrix, Model-potential, Relativistic effects.
Classification: 2.4, 2.5.

Subprograms used:
Cat Id Title Reference
AANR_v1_0 RMATRX STG1R CPC 25(1982)347
AANT_v1_0 RMATRX RECUP CPC 25(1982)347
AANU_v1_0 RMATRX RECUD CPC 25(1982)347
AANV_v1_0 RMATRX STG3R CPC 25(1982)347

Other versions:
Cat Id Title Reference
AAHB_v1_0 RMATRX STG2 CPC 8(1974)150
AAHG_v1_0 A NEW VERSION OF RMATRX STG2 CPC 14(1978)367
ADCP_v1_0 RMATRX1 CPC 92(1995)290

Nature of problem:
The program reads the radial integrals stored on a magnetic tape or disc file by RMATRX STG1R. It then calculates the Hamiltonian matrix, the asymptotic potential coefficients and dipole length and velocity matrices. These quantities are stored on magnetic tapes or disc files for use by RMATRX STG3R or RMATRX RECUP and RMATRX RECUD.

Solution method:
The calculation is carried out in LS-coupling. The angular integrals are carried out using the techniques of Racah algebra. These are then combined with the radial integrals evaluated in RMATRX STGIR. If relativistic effects are to be included one proceeds to RMATRX STG3R via RMATRX RECUP and RMATRX RECUD.

Restrictions:
See subroutine SETDIM of RMATRX STG2R for details of current dimensions.

Running time:
The running time depends on the square of the number of shells and the number of configurations included. The test run took 7 s on the CRAY-1.