%\documentclass[aps,prb,reprint,showkeys,superscriptaddress]{revtex4-1} \documentclass[aip,jcp,reprint,noshowkeys,superscriptaddress]{revtex4-1} \usepackage{subcaption} \usepackage{bm,graphicx,tabularx,array,booktabs,dcolumn,xcolor,microtype,multirow,amscd,amsmath,amssymb,amsfonts,physics,siunitx,enumitem} \usepackage[version=4]{mhchem} \usepackage[utf8]{inputenc} \usepackage[T1]{fontenc} \usepackage{txfonts} \usepackage[normalem]{ulem} \usepackage{mleftright} \bibliographystyle{achemso} \AtBeginDocument{\nocite{achemso-control}} \usepackage{tikz} \usetikzlibrary{arrows.meta,positioning,shapes.misc,arrows} \renewcommand{\thepage}{\arabic{page}} \renewcommand{\thesection}{S\arabic{section}} \renewcommand{\thesubsection}{S\arabic{section}.\arabic{subsection}} \renewcommand{\thetable}{S\arabic{table}} \renewcommand{\thefigure}{S\arabic{figure}} \renewcommand{\theequation}{S\arabic{equation}} %%% Definition of colors for personal remark %%% \definecolor{hughgreen}{RGB}{100, 0, 140} \newcommand{\hugh}[1]{\textcolor{hughgreen}{#1}} \newcommand{\todo}[1]{\textcolor{red}{#1}} \newcommand{\red}[1]{\textcolor{red}{#1}} \newcommand{\ant}[1]{\textcolor{orange}{#1}} \newcommand{\trashant}[1]{\textcolor{orange}{\sout{#1}}} \usepackage{titlesec} \titlespacing\section{10pt plus 2pt minus 2pt}{10pt plus 2pt minus 2pt}{10pt plus 2pt minus 2pt} \titlespacing\subsection{2pt plus 2pt minus 2pt}{10pt plus 2pt minus 2pt}{5pt plus 2pt minus 2pt} \titlespacing\subsubsection{2pt plus 2pt minus 2pt}{10pt plus 2pt minus 2pt}{5pt plus 2pt minus 2pt} \allowdisplaybreaks \usepackage[ colorlinks=true, citecolor=blue, linkcolor=blue, filecolor=blue, urlcolor=blue, breaklinks=true ]{hyperref} \urlstyle{same} %============================================================% %%% NEWCOMMANDS %%% %============================================================% \usepackage{fancyhdr} \pagestyle{fancy} \fancyhf{} \renewcommand{\headrulewidth}{0pt} \cfoot{S\thepage} % Uprights \newcommand{\e}{\mathrm{e}} \newcommand{\Eh}{\mathrm{E_h}} \newcommand{\s}{\mathrm{s}} \newcommand{\tS}{\mathrm{S}} \newcommand{\tT}{\mathrm{T}} \newcommand{\tc}{\text{c}} \newcommand{\tto}{\text{o}} \usepackage{upgreek} \newcommand{\sigg}{{\upsigma_\textrm{g}}} \newcommand{\sigu}{{\upsigma_\textrm{u}}} \newcommand{\Nbas}{n} \newcommand{\Ndet}{M} \newcommand{\Ne}{N} % Bold symbols \newcommand{\bC}{\bm{C}} \newcommand{\bc}{\bm{c}} \newcommand{\br}{\bm{r}} \newcommand{\bx}{\bm{x}} \newcommand{\bR}{\bm{R}} \newcommand{\bS}{\bm{S}} %%% Matrix %%% \newcommand{\FC}{F^{\text{C}}} % Core Fock matrix \newcommand{\FA}{F^{\text{A}}} % Active Fock matrix \newcommand{\rt}{\rho} % Phantom dash \newcommand{\hd}{\hphantom{-}} % addresses \newcommand{\LCPQ}{Laboratoire de Chimie et Physique Quantiques (UMR 5626), Universit\'e de Toulouse, CNRS, UPS, France} \begin{document} \title{\large A similarity renormalization group approach to Green's function methods} %\title{Excited states, symmetry breaking, and unphysical solutions in CASSCF theory} %\title{Characterising state-specific CASSCF theory: Excited states, symmetry breaking, and unphysical solutions} %\title{Exploring the CASSCF energy landscape: Excited states, symmetry breaking, and unphysical solutions} \author{Antoine \surname{Marie}} \email{amarie@irsamc.ups-tlse.fr} \affiliation{\LCPQ} \author{Pierre-Fran\c{c}ois \surname{Loos}} \email{loos@irsamc.ups-tlse.fr} \affiliation{\LCPQ} \begin{abstract} \end{abstract} \maketitle \thispagestyle{fancy} \linepenalty1000 \raggedbottom \onecolumngrid %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \section{SRG-$G_0W_0$, ev$GW$ and SRG-ev$GW$ statistics} \label{app:appendixA} %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%% FIG 1 %%% \begin{figure*} \includegraphics[width=\linewidth]{supporting} \caption{ Histogram of the errors [with respect to $\Delta$CCSD(T)] for the principal IP of the $GW$50 test set calculated using $G_0W_0$@HF, SRG-$G_0W_0$@HF, ev$GW$, and SRG-ev$GW$. All calculations are performed with the aug-cc-pVTZ basis. \label{fig:supporting}} \end{figure*} %%% %%% %%% %%% \end{document}