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Hugh Burton 2020-11-19 12:14:23 +00:00
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Manuscript/EPAWTFT.tex
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@ -484,7 +484,7 @@ the spin-$\sigma$ electrons as
In the weak correlation regime $0 \le U \le 2t$, the angles which minimise the HF energy, In the weak correlation regime $0 \le U \le 2t$, the angles which minimise the HF energy,
\ie, $\pdv*{E_\text{HF}}{\theta_\sigma} = 0$, are \ie, $\pdv*{E_\text{HF}}{\theta_\sigma} = 0$, are
\begin{equation} \begin{equation}
\ta^\text{RHF} = \tb^\text{RHF} = \pi/4, \ta^\text{RHF} = \tb^\text{RHF} = \pi/2,
\end{equation} \end{equation}
giving the symmetry-pure molecular orbitals giving the symmetry-pure molecular orbitals
\begin{align} \begin{align}