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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section03


233. OEDM: One-Electron Diatomic Molecules

by James D. Power, Division of Chemistry, National Research Council of Canada, Ottawa, Canada

Program OEDM evaluates the exact potential curve for a specified state of any given one-electron diatomic molecule (OEDM). Extensive tables of these exact eigenparameters are available. However, if one wants to use more than a few values, this program is so fast that it is cheaper to run it to get the eigenparameters written onto tape.

FORTRAN IV (IBM 360) Lines of Code: 766 Recommended Citation: J. D. Power, QCPE 11, 233 (1973).


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