From 4948b0091371c16bcf4c10c206118ce84f6dad41 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Sat, 5 Dec 2020 15:51:08 +0100 Subject: [PATCH] DONE --- Manuscript/EPAWTFT.bbl | 34 +++++++++++++++++++++++++++++++++- Manuscript/EPAWTFT.bib | 38 +++++++++++++++++++++++++++++++++++++- Manuscript/EPAWTFT.tex | 4 ++-- 3 files changed, 72 insertions(+), 4 deletions(-) diff --git a/Manuscript/EPAWTFT.bbl b/Manuscript/EPAWTFT.bbl index 0783150..05798a3 100644 --- a/Manuscript/EPAWTFT.bbl +++ b/Manuscript/EPAWTFT.bbl @@ -6,7 +6,7 @@ %Control: page (0) single %Control: year (1) truncated %Control: production of eprint (0) enabled -\begin{thebibliography}{175}% +\begin{thebibliography}{178}% \makeatletter \providecommand \@ifxundefined [1]{% \@ifx{#1\undefined} @@ -1487,6 +1487,38 @@ {journal} {\bibinfo {journal} {J. Phys. Chem. A}\ }\textbf {\bibinfo {volume} {112}},\ \bibinfo {pages} {13164} (\bibinfo {year} {2008})}\BibitemShut {NoStop}% +\bibitem [{\citenamefont {Barca}\ \emph {et~al.}(2014)\citenamefont {Barca}, + \citenamefont {Gilbert},\ and\ \citenamefont {Gill}}]{Barca_2014}% + \BibitemOpen + \bibfield {author} {\bibinfo {author} {\bibfnamefont {G.~M.~J.}\ + \bibnamefont {Barca}}, \bibinfo {author} {\bibfnamefont {A.~T.~B.}\ + \bibnamefont {Gilbert}}, \ and\ \bibinfo {author} {\bibfnamefont {P.~M.~W.}\ + \bibnamefont {Gill}},\ }\href {\doibase 10.1063/1.4896182} {\bibfield + {journal} {\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} + {141}},\ \bibinfo {pages} {111104} (\bibinfo {year} {2014})}\BibitemShut + {NoStop}% +\bibitem [{\citenamefont {Barca}\ \emph + {et~al.}(2018{\natexlab{a}})\citenamefont {Barca}, \citenamefont {Gilbert},\ + and\ \citenamefont {Gill}}]{Barca_2018a}% + \BibitemOpen + \bibfield {author} {\bibinfo {author} {\bibfnamefont {G.~M.~J.}\ + \bibnamefont {Barca}}, \bibinfo {author} {\bibfnamefont {A.~T.~B.}\ + \bibnamefont {Gilbert}}, \ and\ \bibinfo {author} {\bibfnamefont {P.~M.~W.}\ + \bibnamefont {Gill}},\ }\href {\doibase 10.1021/acs.jctc.7b00994} {\bibfield + {journal} {\bibinfo {journal} {J. Chem. Theory. Comput.}\ }\textbf {\bibinfo + {volume} {14}},\ \bibinfo {pages} {1501} (\bibinfo {year} + {2018}{\natexlab{a}})}\BibitemShut {NoStop}% +\bibitem [{\citenamefont {Barca}\ \emph + {et~al.}(2018{\natexlab{b}})\citenamefont {Barca}, \citenamefont {Gilbert},\ + and\ \citenamefont {Gill}}]{Barca_2018b}% + \BibitemOpen + \bibfield {author} {\bibinfo {author} {\bibfnamefont {G.~M.~J.}\ + \bibnamefont {Barca}}, \bibinfo {author} {\bibfnamefont {A.~T.~B.}\ + \bibnamefont {Gilbert}}, \ and\ \bibinfo {author} {\bibfnamefont {P.~M.~W.}\ + \bibnamefont {Gill}},\ }\href {\doibase 10.1021/acs.jctc.7b00963} {\bibfield + {journal} {\bibinfo {journal} {J. Chem. Theory. Comput.}\ }\textbf {\bibinfo + {volume} {14}},\ \bibinfo {pages} {9} (\bibinfo {year} + {2018}{\natexlab{b}})}\BibitemShut {NoStop}% \bibitem [{\citenamefont {Lee}\ \emph {et~al.}(2019)\citenamefont {Lee}, \citenamefont {Small},\ and\ \citenamefont {Head-Gordon}}]{Lee_2019}% \BibitemOpen diff --git a/Manuscript/EPAWTFT.bib b/Manuscript/EPAWTFT.bib index efb1d7d..697eb79 100644 --- a/Manuscript/EPAWTFT.bib +++ b/Manuscript/EPAWTFT.bib @@ -1,13 +1,49 @@ %% This BibTeX bibliography file was created using BibDesk. %% http://bibdesk.sourceforge.net/ -%% Created for Pierre-Francois Loos at 2020-12-04 17:07:40 +0100 +%% Created for Pierre-Francois Loos at 2020-12-05 15:45:56 +0100 %% Saved with string encoding Unicode (UTF-8) +@article{Barca_2014, + author = {G. M. J. Barca and A. T. B. Gilbert and P. M. W. Gill}, + date-added = {2020-12-05 15:45:52 +0100}, + date-modified = {2020-12-05 15:45:52 +0100}, + doi = {10.1063/1.4896182}, + journal = {J. Chem. Phys.}, + pages = {111104}, + title = {{Hartree--Fock} description of excited states of {H2}}, + volume = {141}, + year = {2014}, + Bdsk-Url-1 = {https://doi.org/10.1063/1.4896182}} + +@article{Barca_2018a, + author = {Barca, Giuseppe M. J. and Gilbert, Andrew T. B. and Gill, Peter M. W.}, + date-added = {2020-12-05 15:43:57 +0100}, + date-modified = {2020-12-05 15:44:07 +0100}, + doi = {10.1021/acs.jctc.7b00994}, + journal = {J. Chem. Theory. Comput.}, + pages = {1501-1509}, + title = {Simple {{Models}} for {{Difficult Electronic Excitations}}}, + volume = {14}, + year = {2018}, + Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00994}} + +@article{Barca_2018b, + author = {Barca, Giuseppe M. J. and Gilbert, Andrew T. B. and Gill, Peter M. W.}, + date-added = {2020-12-05 15:43:57 +0100}, + date-modified = {2020-12-05 15:44:19 +0100}, + doi = {10.1021/acs.jctc.7b00963}, + journal = {J. Chem. Theory. Comput.}, + pages = {9-13}, + title = {Excitation {{Number}}: {{Characterizing Multiply Excited States}}}, + volume = {14}, + year = {2018}, + Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00963}} + @article{Hirata_2017, author = {Hirata, So and Doran, Alexander E. and Knowles, Peter J. and Ortiz, J. V.}, date-added = {2020-12-04 17:07:30 +0100}, diff --git a/Manuscript/EPAWTFT.tex b/Manuscript/EPAWTFT.tex index 855f05d..a44029e 100644 --- a/Manuscript/EPAWTFT.tex +++ b/Manuscript/EPAWTFT.tex @@ -1865,7 +1865,7 @@ Beyond intuitive heuristics, it is not clear why these alternative orbitals prov and a detailed investigation of their MP energy function in the complex plane is therefore bound to provide fascinating insights. Furthermore, the convergence properties of the excited-state MP series using orbital-optimised higher energy -HF solutions\cite{Gilbert_2008} remains entirely unexplored.\cite{Lee_2019,CarterFenk_2020} +HF solutions\cite{Gilbert_2008,Barca_2014,Barca_2018a,Barca_2018b} remains entirely unexplored.\cite{Lee_2019,CarterFenk_2020} % HUBBARD Finally, the physical concepts and mathematical tools presented in this manuscript have been illustrated @@ -1875,7 +1875,7 @@ for understanding the subtle features of perturbation theory in the complex plan such as Kohn-Sham DFT, \cite{Carrascal_2015,Cohen_2016} linear-response theory,\cite{Carrascal_2018} many-body perturbation theory,\cite{Romaniello_2009,Romaniello_2012,DiSabatino_2015,Hirata_2015,Tarantino_2017,Olevano_2019} ensemble DFT, \cite{Deur_2017,Deur_2018,Senjean_2018,Sagredo_2018,Fromager_2020} thermal DFT,\cite{Smith_2016,Smith_2018} -coupled cluster theory,\cite{Stein_2014,Henderson_2015,Shepherd_2016} and many more. +\titou{wave function methods},\cite{Stein_2014,Henderson_2015,Shepherd_2016} and many more. In particular, we have shown that the Hubbard dimer contains sufficient flexibility to describe the effects of symmetry breaking, the MP critical point, and resummation techniques, in contrast to the more minimalistic models considered previously.