From 74d3c4ae5df625eb2630299cfd485abbbf4322a9 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Tue, 16 Jun 2020 09:53:58 +0200 Subject: [PATCH] one more blush --- Manuscript/BSE_JPCL.bib | 4 ++++ Manuscript/BSE_JPCL.tex | 2 +- 2 files changed, 5 insertions(+), 1 deletion(-) diff --git a/Manuscript/BSE_JPCL.bib b/Manuscript/BSE_JPCL.bib index 037eab2..14700b4 100644 --- a/Manuscript/BSE_JPCL.bib +++ b/Manuscript/BSE_JPCL.bib @@ -14750,3 +14750,7 @@ doi = {10.1103/PhysRevB.86.245127}, url = {https://link.aps.org/doi/10.1103/PhysRevB.86.245127} } + +@misc{listofrefs, + note ={ For a list of applications to molecular systems, see e.g. Table 1 of Ref.~\citenum{Blase_2018}. } + } diff --git a/Manuscript/BSE_JPCL.tex b/Manuscript/BSE_JPCL.tex index 76e2738..cbe2174 100644 --- a/Manuscript/BSE_JPCL.tex +++ b/Manuscript/BSE_JPCL.tex @@ -498,7 +498,7 @@ This defines the standard (static) BSE@$GW$ scheme that we discuss in this \text Originally developed in the framework of nuclear physics, \cite{Salpeter_1951} the BSE formalism has emerged in condensed-matter physics around the 1960's at the tight-binding level with the study of the optical properties of simple semiconductors. \cite{Sham_1966,Strinati_1984,Delerue_2000} Three decades later, the first \textit{ab initio} implementations, starting with small clusters \cite{Onida_1995,Rohlfing_1998} extended semiconductors and wide-gap insulators, \cite{Albrecht_1997,Benedict_1998,Rohlfing_1999b} paved the way to the popularization in the solid-state physics community of the BSE formalism. -Following pioneering applications to periodic polymers and molecules, \cite{Rohlfing_1999a,Horst_1999,Puschnig_2002,Tiago_2003} BSE gained much momentum in quantum chemistry with, in particular, several benchmark calculations \cite{Boulanger_2014,Jacquemin_2015a,Bruneval_2015,Jacquemin_2015b,Hirose_2015,Jacquemin_2017,Krause_2017,Gui_2018} on large molecular sets performed with the very same parameters (geometries, basis sets, etc) than the available higher-level reference calculations. \cite{Schreiber_2008} %such as CC3. \cite{Christiansen_1995} +Following pioneering applications to periodic polymers and molecules, \cite{Rohlfing_1999a,Horst_1999,Puschnig_2002,Tiago_2003} BSE gained much momentum in quantum chemistry \cite{listofrefs} with, in particular, several benchmark calculations \cite{Boulanger_2014,Jacquemin_2015a,Bruneval_2015,Jacquemin_2015b,Hirose_2015,Jacquemin_2017,Krause_2017,Gui_2018} on large molecular sets performed with the very same parameters (geometries, basis sets, etc) than the available higher-level reference calculations. \cite{Schreiber_2008} %such as CC3. \cite{Christiansen_1995} Such comparisons were grounded in the development of codes replacing the plane-wave paradigm of solid-state physics by Gaussian basis sets, together with adequate auxiliary bases when resolution-of-the-identity (RI) techniques \cite{Ren_2012b} were used. An important conclusion drawn from these calculations was that the quality of the BSE excitation energies is strongly correlated to the deviation of the preceding $GW$ HOMO-LUMO gap