From 22c09394f635af6ca8b8c7d9fab76024677a94bd Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Sun, 29 Nov 2020 23:06:30 +0100 Subject: [PATCH] minor --- Manuscript/QUEST_WIREs.tex | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Manuscript/QUEST_WIREs.tex b/Manuscript/QUEST_WIREs.tex index 818799b..63fbf5f 100644 --- a/Manuscript/QUEST_WIREs.tex +++ b/Manuscript/QUEST_WIREs.tex @@ -307,7 +307,7 @@ E_{\text{rPT2}}^{(0)} \approx E_{\text{rPT2}}^{(m)}$, and by using a common set of state-averaged natural orbitals with equal weights for the ground and excited states. %This last feature tends to make the values of $\alpha^{(0)}$ and $\alpha^{(m)}$ very close to each other, such that the error on the energy difference is decreased. -Using Eq.(\ref{eqx}) the estimated error on the CIPSI energy is calculated as +Using Eq.~\eqref{eqx} the estimated error on the CIPSI energy is calculated as \begin{equation} E_{\text{CIPSI}}^{(m)} - E_{\text{FCI}}^{(m)} = \qty(E_\text{var}^{(m)}+E_{\text{rPT2}}^{(m)}) - E_{\text{FCI}}^{(m)}