From bf120b9af65550c8d9a9bc7f540c221ffe90ebb2 Mon Sep 17 00:00:00 2001 From: Emmanuel Fromager Date: Tue, 5 May 2020 23:15:05 +0200 Subject: [PATCH] Manu: checking LIM formulas --- Manuscript/FarDFT.tex | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/Manuscript/FarDFT.tex b/Manuscript/FarDFT.tex index a55bf50..f571e47 100644 --- a/Manuscript/FarDFT.tex +++ b/Manuscript/FarDFT.tex @@ -750,6 +750,16 @@ a pragmatic way of getting weight-independent excitation energies, defined as \Ex{\LIM}{(2)} & = 3 \qty[\E{}{\bw{}=(1/3,1/3)} - \E{}{\bw{}=(1/2,0)}] + \frac{1}{2} \Ex{\LIM}{(1)}, \label{eq:LIM2} \end{align} \end{subequations} +\manu{ +$\frac{1}{2}\Ex{\LIM}{(1)}=\frac{1}{2}\left(E_1-E_0\right)$\\ +$\E{}{\bw{}=(1/3,1/3)}=\frac{1}{3}\left(E_0+E_1+E_2\right)$\\ +$\E{}{\bw{}=(1/2,0)}=\frac{1}{2}\left(E_0+E_1\right)$\\ +$3 \qty[\E{}{\bw{}=(1/3,1/3)} - +\E{}{\bw{}=(1/2,0)}]=-\frac{1}{2}\left(E_0+E_1\right)+E_2$ +\\ +$3 \qty[\E{}{\bw{}=(1/3,1/3)} - +\E{}{\bw{}=(1/2,0)}]+\frac{1}{2} \Ex{\LIM}{(1)}=E_2-E_0$ +}\\ which require three independent calculations, as well as the MOM excitation energies \cite{Gilbert_2008,Barca_2018a,Barca_2018b} \begin{subequations} \begin{align}