Surpassing the Temple Lower Bound |
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Authors: | M.G. Marmorino Pritha Gupta |
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Affiliation: | (1) Department of Chemistry, Indiana University South Bend, P. O. Box 7111, South Bend, IN 46634, USA |
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Abstract: | A non-traditional derivation of the Temple lower bound formula shows how the Temple bound can be improved using expectation values of H3. Improved upper bounds result as a byproduct as well. Since expectation values of H2 are already quite difficult in analytical calculations we also introduce an approximate lower bound which avoids the need for H3 but which is rigorous only in a limiting sense. Examples of the two bounds are given using the lithium and perturbed hydrogen atoms. |
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Keywords: | Temple bound lower bound |
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