Error analysis of variationally optimize
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Barbara E. Ley; Tony Thorpe; Stuart M. Rothstein
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Article
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1974
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John Wiley and Sons
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English
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## Abstract Wave functions which are a linear combination of Hโtype elliptical orbitals are optimized to provide either an upper bound or a lower bound to the H ground state. For the latter, Temple's formula is used. Three criteria are considered to determine the relative accuracy of these wave fun