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final remark

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Pierre-Francois Loos 2020-02-11 10:07:37 +01:00
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BSE-PES.tex
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@ -603,7 +603,8 @@ However, around the equilibrium structure, we have not encountered any instabili
This is an important outcome of the present study as the difficulties encountered at large interatomic distances (\ie, close to the dissociation limit) do not prevent the BSE approach to be potentially useful and accurate in the vicinity of equilibrium distances.
Furthermore, preliminary calculations could not detect any singlet instabilities in the vicinity of the lowest singlet excited-state minima.
As a final remark, we would like to mention that although we have considered here only a limited set of compounds, our correlation energy mean absolute error with BSE@$GW$ of $5.5$ mHa (as compared to CC3) is significantly smaller than the one obtained with MP2 and CCSD ($18.2$ and $13.5$ mHa respectively).
As a final remark, we would like to mention that although we have considered here only a limited set of compounds, our correlation energy mean absolute error (MAE) with BSE@{\GOWO}@HF of $5.5$ mHa (as compared to CC3) is significantly smaller than the one obtained with MP2, CC2, and CCSD ($18.2$, $13.1$ and $13.5$ mHa respectively).
For comparison, the RPA-related formalisms return larger MAEs of $75.6$, $43.1$, and $68.2$ mHa for BSE@{\GOWO}@HF, RPAx@HF, and RPA@HF, respectively.
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%\section{Conclusion}