From d77017e8d5dfaa5b56bf6cac93a17c38ec6f5c85 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Mon, 3 Feb 2020 16:07:34 +0100 Subject: [PATCH] b4 xav --- BSE-PES.tex | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/BSE-PES.tex b/BSE-PES.tex index 360c7e2..363d59a 100644 --- a/BSE-PES.tex +++ b/BSE-PES.tex @@ -589,7 +589,7 @@ Additional graphs for other basis sets and within the frozen-core approximation \end{figure*} %%% %%% %%% -The \ce{F2} molecule is a notoriously difficult case to treat due to the relative weakness of its covalent bond (see Fig.~\ref{fig:PES-F2}), hence the relatively long equilibrium bond length observed for \ce{F2}. +The \ce{F2} molecule is a notoriously difficult case to treat due to the weakness of its covalent bond (see Fig.~\ref{fig:PES-F2}), hence its relatively long equilibrium bond length ($2.663$ bohr at the CC3/cc-pVQZ level). Similarly to what we have observed for \ce{LiF} and \ce{BF}, there is an irregularities near the minimum of the {\GOWO}-based curves. However, BSE@{\GOWO}@HF is the closest to the CC3 curve