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refine 7-9
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jeanwsr committed Aug 10, 2020
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16 changes: 16 additions & 0 deletions chap7/chap7.tex
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Expand Up @@ -500,6 +500,22 @@ \subsection{Application of the Formalism to \ce{H_2} and \ce{HeH^+}}
\varepsilon_{22}^\pm &= \varepsilon_1 \pm \sqrt{(\varepsilon_1 - \varepsilon_2)^2 + K_{12}^2} \notag\\
&= \varepsilon_2 - \qty[(\varepsilon_2 - \varepsilon_1) \mp \sqrt{(\varepsilon_2 - \varepsilon_1)^2 + K_{12}^2}]
\end{align}
\subex{d.}
\begin{align}
\varepsilon_{22}^+ &= \varepsilon_2 - \qty[(\varepsilon_2 - \varepsilon_1) - \sqrt{(\varepsilon_2 - \varepsilon_1)^2 + K_{12}^2}] \notag\\
&\approx \varepsilon_2 - \qty[\Delta - \sqrt{\Delta^2 + K_{12}^2}] \notag\\
&= \varepsilon_2 - {^N}E_{\corr} \notag\\
&= {^{N+1}}\mathscr{E}_0 - {^N}\mathscr{E}_0
\end{align}
\begin{align}
\varepsilon_{22}^- &= \varepsilon_2 - \qty[(\varepsilon_2 - \varepsilon_1) + \sqrt{(\varepsilon_2 - \varepsilon_1)^2 + K_{12}^2}] \notag\\
&\approx \varepsilon_2 + \qty[-(\varepsilon_2 - \varepsilon_1) -\Delta + \Delta - \sqrt{\Delta^2 + K_{12}^2}] \notag\\
&= \varepsilon_2 - (\varepsilon_2 - \varepsilon_1) - \Delta - {^N}E_{\corr} \notag\\
&= \varepsilon_2 - (\varepsilon_2 - \varepsilon_1) - \qty(\varepsilon_2 - \varepsilon_1 + \dfrac{1}{2}(J_{11} + J_{22}) - 2J_{12} + K_{12}) - {^N}E_{\corr} \notag\\
&= 2\varepsilon_1 - \varepsilon_2 - \qty(\dfrac{1}{2}(J_{11} + J_{22}) - 2J_{12} + K_{12}) - {^N}E_{\corr} \notag\\
&\approx 2\varepsilon_1 - \varepsilon_2 - J_{11} + 2J_{12} - K_{12}) - {^N}E_{\corr} \notag\\
&= {^N}\mathscr{E}_0 - {^{N-1}}\mathscr{E}_1
\end{align}



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