From f0efd5715d0f1d7e1e3c0e4a5eaa06241b58eb73 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Fri, 29 May 2020 13:02:52 +0200 Subject: [PATCH] typos --- BSEdyn.bib | 4 ++-- BSEdyn.tex | 8 ++++---- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/BSEdyn.bib b/BSEdyn.bib index b571b29..8eaaf75 100644 --- a/BSEdyn.bib +++ b/BSEdyn.bib @@ -1,7 +1,7 @@ %% This BibTeX bibliography file was created using BibDesk. %% http://bibdesk.sourceforge.net/ -%% Created for Pierre-Francois Loos at 2020-05-29 10:38:59 +0200 +%% Created for Pierre-Francois Loos at 2020-05-29 13:02:34 +0200 %% Saved with string encoding Unicode (UTF-8) @@ -111,7 +111,7 @@ Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00406}} @article{Loos_2020c, - Author = {P. F. Loos and A. Scemama and M. Boggio-Pasqua and D. Jacquemin}, + Author = {P. F. Loos and A. Scemama and M. Boggio-Pasqua and D. Jacquemin}, Date-Added = {2020-05-18 22:13:24 +0200}, Date-Modified = {2020-05-29 10:31:08 +0200}, Doi = {10.1021/acs.jctc.0c00227}, diff --git a/BSEdyn.tex b/BSEdyn.tex index 189e2df..45e8125 100644 --- a/BSEdyn.tex +++ b/BSEdyn.tex @@ -730,8 +730,8 @@ Further details about our implementation of {\GOWO} can be found in Refs.~\onlin As one-electron basis sets, we employ the augmented Dunning family (aug-cc-pVXZ) defined with cartesian Gaussian functions. Finally, the infinitesimal $\eta$ is set to $100$ meV for all calculations. -For comparison purposes, we employ the theoretical best estimates and geometries of Refs.~\onlinecite{Loos_2018a,Loos_2019,Loos_2020b} from which coupled cluster (CC) excitation energies, namely, CC2 \cite{Christiansen_1995}, CCSD, \cite{Purvis_1982} and CC3, \cite{Christiansen_1995b} are also extracted. -All the BSE calculations have been performed with our locally developed $GW$ software, \texttt{QuAcK}, \cite{QuAcK} freely available on \texttt{github}, where the present perturbative correction has been implemented. +For comparison purposes, we employ the theoretical best estimates and geometries of Refs.~\onlinecite{Loos_2018a,Loos_2019,Loos_2020b} from which CIS(D), \cite{Head-Gordon_1994,Head-Gordon_1995} ADC(2), \cite{Trofimov_1997,Dreuw_2015} CC2 \cite{Christiansen_1995}, CCSD, \cite{Purvis_1982} and CC3, \cite{Christiansen_1995b} excitation energies are also extracted. +All the BSE calculations have been performed with the $GW$ software, \texttt{QuAcK}, \cite{QuAcK} freely available on \texttt{github}, where the present perturbative correction has been implemented. %%%%%%%%%%%%%%%%%%%%%%%% \section{Results and Discussion} @@ -784,7 +784,7 @@ All the BSE calculations have been performed with our locally developed $GW$ sof \begin{tabular}{lldddddddddd} & & \mc{5}{c}{BSE@{\GOWO}@HF} & \mc{5}{c}{Wave function-based methods} \\ %& \mc{5}{c}{Density-based methods} \\ \cline{3-7} \cline{8-12} %\cline{13-17} - Mol. & State & \tabc{$\Eg^{\GW}$} & \tabc{$\Om{s}{\stat}$} & \tabc{$\Om{m}{\dyn}$} & \tabc{$\Delta\Om{s}{\dyn}$} & \tabc{$Z_{s}$} + Mol. & State & \tabc{$\Eg^{\GW}$} & \tabc{$\Om{s}{\stat}$} & \tabc{$\Om{s}{\dyn}$} & \tabc{$\Delta\Om{s}{\dyn}$} & \tabc{$Z_{s}$} & \tabc{CIS(D)} & \tabc{ADC(2)} & \tabc{CCSD} & \tabc{CC2} & \tabc{CC3} \\ % & \tabc{B3LYP} & \tabc{PBE0} & \tabc{M06-2X} & \tabc{CAM-B3LYP} & \tabc{LC-$\omega$HPBE} \\ \hline @@ -867,7 +867,7 @@ All the BSE calculations have been performed with our locally developed $GW$ sof \begin{tabular}{lldddddddddd} & & \mc{5}{c}{BSE@{\GOWO}@HF} & \mc{5}{c}{Wave function-based methods} \\%& \mc{5}{c}{Density-based methods} \\ \cline{3-7} \cline{8-12} %\cline{13-17} - Mol. & State & \tabc{$\Eg^{\GW}$} & \tabc{$\Om{m}{\stat}$} & \tabc{$\Om{m}{\dyn}$} & \tabc{$\Delta\Om{m}{\dyn}$} & \tabc{$Z_{m}$} + Mol. & State & \tabc{$\Eg^{\GW}$} & \tabc{$\Om{s}{\stat}$} & \tabc{$\Om{s}{\dyn}$} & \tabc{$\Delta\Om{s}{\dyn}$} & \tabc{$Z_{s}$} & \tabc{CIS(D)} & \tabc{ADC(2)} & \tabc{CCSD} & \tabc{CC2} & \tabc{CC3} \\ % & \tabc{B3LYP} & \tabc{PBE0} & \tabc{M06-2X} & \tabc{CAM-B3LYP} & \tabc{LC-$\omega$HPBE} \\ \hline