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Pierre-Francois Loos 2020-12-01 17:22:20 +01:00
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Manuscript/EPAWTFT.tex
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@ -1175,7 +1175,7 @@ where we consider one of the sites as a ``ghost atom'' that acts as a
destination for ionised electrons being originally localised on the other site.
To mathematically model this scenario in this asymmetric Hubbard dimer, we introduce a one-electron potential $-\epsilon$ on the left site to
represent the attraction between the electrons and the model ``atomic'' nucleus [see Eq.~\eqref{eq:H_FCI}], where we define $\epsilon > 0$.
The reference Slater determinant for a doubly-occupied atom can be represented using the RHF
The reference Slater determinant for a doubly-occupied atom can be represented using RHF
orbitals [see Eq.~\eqref{eq:RHF_orbs}] with $\theta_{\alpha}^{\text{RHF}} = \theta_{\beta}^{\text{RHF}} = 0$,
which corresponds to strictly localising the two electrons on the left site.
%and energy