Computer Physics Communications Program LibraryPrograms in Physics & Physical Chemistry |

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Manuscript Title: SSM: a set of subprograms for calculating eigenvalues for a diatomic
molecule using a simplified shooting method. | ||

Authors: A. El-Hajj, H. Kobeissi, M. Korek | ||

Program title: SSM | ||

Catalogue identifier: ACJS_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 74(1993)297 | ||

Programming language: Fortran. | ||

Computer: IBM PC. | ||

Operating system: MS-DOS. | ||

Word size: 64 | ||

Peripherals: disc. | ||

Keywords: Molecular, Structure, General purpose, Differential equations, Eigenvalue equation, Eigenvalue, Shooting method, Analytical potential, R-k-r potential. | ||

Classification: 4.3, 16.1. | ||

Nature of problem:SSM calculates eigenvalues for the radial Schrodinger equation using the recent simplified shooting method. | ||

Solution method:The search of an eigenvalue is reduced to the search of the zero of a function C(E) with linear shape around its zeros. | ||

Restrictions:Provided that the data given is valid, there are no known restrictions. | ||

Running time:Dependant upon the given trial eigenvalue, the number of level and the computer used. 25 seconds for Test run 1 on a 386 personal computer running at 20 Mhz using Microsoft Fortran Compiler. |

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