Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] aanu_v1_0.gz(13 Kbytes)
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 RECUD
Catalogue identifier: AANU_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: 238K words
Word size: 64
Peripherals: magnetic tape, disc.
Keywords: Atomic physics, Electron-atom, Scattering, Photon, Electron-ion, Photoionization, Dipole matrix reduced, Length, Velocity, Relativistic effects, Intermediate coupling, Pair-coupling, R-matrix.
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
AANV_v1_0 RMATRX STG3R CPC 25(1982)347

Nature of problem:
This program reads from magnetic tape or disc file, reduced dipole length and velocity matrices calculated in LS-coupling by RMATRX STG2R and recoupling information calculated by RMATRX RECUP. Using this information reduced dipole length and velocity matrices are evaluated in pair-coupling. These quantities are stored on magnetic tape or disc files to be used by RMATRX STG3R.

Solution method:
Reduced dipole length and velocity matrices calculated in LS-coupling are transformed to pair-coupling by means of a unitary transformation.

Consult subroutine SETDIM of RMATRX RECUD to determine current dimensions.

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