This commit is contained in:
Pierre-Francois Loos 2020-12-05 15:51:08 +01:00
parent 892b984426
commit 4948b00913
3 changed files with 72 additions and 4 deletions

View File

@ -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

View File

@ -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},

View File

@ -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.