Programs in Physics & Physical Chemistry
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|Manuscript Title: Rayleigh self consistent relativistic form factors and modified form factors.|
|Authors: D. Schaupp, M. Schumacher, F. Smend|
|Program title: RAYLEIGH DHFS RFF AND MRFF|
|Catalogue identifier: ACCN_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 32(1984)413|
|Programming language: Fortran.|
|Computer: UNIVAC 1100/83.|
|Operating system: EXEC 8, VMS 3.2.|
|RAM: 18K words|
|Word size: 36|
|Keywords: Atomic physics, Gamma ray, Scattering, Rayleigh scattering, Relativistic form factor, Relativistic modified Form factor, Self consistent dhfs, Photon.|
Nature of problem:
This program performs calculations of the form factors and modified form factors for the elastic scattering of gamma rays by the electrons of a complete subshell of an atom using the wave functions, the atomic potential and the energy eigenvalues calculated by the self-consistent field program of Liberman et al.
The form factor is evaluated by a numerical integration.
The DHFS wave functions of the electronic subshells, the electrostatic potential and the binding energies as calculated by the program of Liberman et al. or any other code producing radial wave functions on a logarithmic mesh are needed as input data.
The integrand contains the oscillatory function sin(kr) as a factor which, at large values of k, may cause errors due to the cancellation of terms. Using cubic spline interpolation of the remaining factors of the integrand, this type of error is virtually eliminated, resulting in high numerical accuracy of the integrals.
A few seconds.
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