Programs in Physics & Physical Chemistry
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|Manuscript Title: PHOTUC: oscillator strengths and photoionization cross sections from close coupling wavefunctions.|
|Authors: H.E. Saraph|
|Program title: PHOTUC|
|Catalogue identifier: AAXB_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 46(1987)107|
|Programming language: Fortran.|
|Operating system: JES2.|
|RAM: 332K words|
|Keywords: Atomic physics, Scattering, Photon, Ion, Multi-channel, Dipole radiative, Transitions.|
Nature of problem:
Close coupling wave functions for bound and free states of atomic ions are used to calculate radiative transition probabilities.
The input functions are retabulated on a uniform mesh, the first derivatives are calculated, quadratures and summations are performed according to the formulation of Comp. Phys. Commun. 7(1974)353. The algebraic coefficients and all integrals involving target orbitals only must be input.
The program works only for electric dipole transitions. The wave functions must be supplied over the entire range of integration. The program is unsuitable for calculation of free-free transitions. The program has only been used with close coupling wave functions produced by the program IMPACT, Comp. Phys. Commun. 15(1978)23, but necessary modifications for use with other input functions are indicated.
A string replacement type processor, Comp. Phys. Commun. 13(1977)101, is supplied with this program. The program source must be processed before it can be compiled. The processor allows the user to choose the array lengths according to his requirements. It activates or de-activates machine dependent features according to whether the program is to be run on IBM-type or CDC-type machines. It can suppress sections of the code that perform calculations necessary for the velocity formulation.
A few seconds on the CRAY-1.
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