RMP Hamiltonian for Hugh
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@ -1272,10 +1272,21 @@ has a negative diagonal term in the one-electron Hamiltonian, representing the n
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encoded in the Initialisation section such that the core Hamiltonian is
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To model the doubly-occupied atom, we can define our reference HF state as the configuration with $\theta = 0$ and energy
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\begin{equation}
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\frac{1}{2} (2 U - 4 \epsilon)
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E_\text{HF}(0, 0) = \frac{1}{2} (2 U - 4 \epsilon)
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\end{equation}
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The RMP Hamiltonian then becomes
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...
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\begin{widetext}
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\begin{equation}
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\label{eq:H_RMP}
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\bH_\text{RMP}\qty(\lambda) =
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\begin{pmatrix}
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-2 \delta \epsilon + 2U(1 - \lambda/2) & -\lambda t & -\lambda t & 0 \\
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-\lambda t & - \delta \epsilon + (1-\lambda)U & 0 & -\lambda t \\
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-\lambda t & 0 & - \delta \epsilon + (1-\lambda)U & -\lambda t \\
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0 & -\lambda t & -\lambda t & \lambda U \\
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\end{pmatrix},
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\end{equation}
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\end{widetext}
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}
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\hughDraft{%
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