Some observations on the computed forms
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E.M. Evleth; E. Kassab
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Article
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1986
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Elsevier Science
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English
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The potential surfaces for bond ruptures in Ha, CH4, and C2He are examined in their reducedenergy forms. For CH bond rupture in methane, the 6-31G\*\* reduced energies found at the two-confguration SCF level are nearly identical to previously published higher-level treatments. It is shown that reduc