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-------- Original Message --------
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<th align="RIGHT" nowrap="nowrap" valign="BASELINE">Subject:
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<td>Re: variational prob</td>
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<th align="RIGHT" nowrap="nowrap" valign="BASELINE">Date: </th>
<td>Sun, 20 Oct 2013 08:33:53 -0400</td>
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<th align="RIGHT" nowrap="nowrap" valign="BASELINE">From: </th>
<td>Andrew J. Pounds <a class="moz-txt-link-rfc2396E" href="mailto:pounds_aj@mercer.edu"><pounds_aj@mercer.edu></a></td>
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<th align="RIGHT" nowrap="nowrap" valign="BASELINE">Reply-To:
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<td><a class="moz-txt-link-abbreviated" href="mailto:pounds_aj@mercer.edu">pounds_aj@mercer.edu</a></td>
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<th align="RIGHT" nowrap="nowrap" valign="BASELINE">To: </th>
<td>Connor Gregory Holt
<a class="moz-txt-link-rfc2396E" href="mailto:Connor.Gregory.Holt@live.mercer.edu"><Connor.Gregory.Holt@live.mercer.edu></a></td>
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<pre>The energies of the trial functions should be getting "more negative" as
they approach the true value -- which itself has a negative value and
should be the "most negative" of your collection.
On 10/20/13 02:09, Connor Gregory Holt wrote:
> When looking at the energies of the optimized variational functions, are they approaching the exact energy from above when you look at the absolute value of the energy calculated? I am getting expressions that look almost identical to the exact ground state energy of Hydrogen, but if I don't take the absolute value, they are technically approaching the exact energy from below (since the energies are negative). This is confusing me a little.
>
> Thank you, Dr. Pounds. Hope you're having a nice weekend.
>
> Connor.
--
Andrew J. Pounds, Ph.D. (<a class="moz-txt-link-abbreviated" href="mailto:pounds_aj@mercer.edu">pounds_aj@mercer.edu</a>)
Professor of Chemistry and Computer Science
Mercer University, Macon, GA 31207 (478) 301-5627
<a class="moz-txt-link-freetext" href="http://faculty.mercer.edu/pounds_aj">http://faculty.mercer.edu/pounds_aj</a>
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