one more ref to Hirata

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Pierre-Francois Loos 2020-12-04 17:09:01 +01:00
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\begin{thebibliography}{174}%
\begin{thebibliography}{175}%
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}\href {\doibase 10.1063/1.4926327} {\bibfield {journal} {\bibinfo
{journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {143}},\ \bibinfo
{pages} {024108} (\bibinfo {year} {2015})}\BibitemShut {NoStop}%
\bibitem [{\citenamefont {Hirata}\ \emph {et~al.}(2015)\citenamefont {Hirata},
\citenamefont {Hermes}, \citenamefont {Simons},\ and\ \citenamefont
{Ortiz}}]{Hirata_2015}%
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {S.}~\bibnamefont
{Hirata}}, \bibinfo {author} {\bibfnamefont {M.~R.}\ \bibnamefont {Hermes}},
\bibinfo {author} {\bibfnamefont {J.}~\bibnamefont {Simons}}, \ and\ \bibinfo
{author} {\bibfnamefont {J.~V.}\ \bibnamefont {Ortiz}},\ }\href {\doibase
10.1021/acs.jctc.5b00005} {\bibfield {journal} {\bibinfo {journal} {J.
Chem. Theory Comput.}\ }\textbf {\bibinfo {volume} {11}},\ \bibinfo {pages}
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\bibitem [{\citenamefont {Tarantino}\ \emph {et~al.}(2017)\citenamefont
{Tarantino}, \citenamefont {Romaniello}, \citenamefont {Berger},\ and\
\citenamefont {Reining}}]{Tarantino_2017}%

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%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/
%% Created for Pierre-Francois Loos at 2020-12-04 09:51:06 +0100
%% Created for Pierre-Francois Loos at 2020-12-04 17:07:40 +0100
%% Saved with string encoding Unicode (UTF-8)
%
@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},
date-modified = {2020-12-04 17:07:40 +0100},
doi = {10.1063/1.4994837},
journal = {J. Chem. Phys.},
pages = {044108},
title = {One-Particle Many-Body {{Green}}'s Function Theory: {{Algebraic}} Recursive Definitions, Linked-Diagram Theorem, Irreducible-Diagram Theorem, and General-Order Algorithms},
volume = {147},
year = {2017},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4994837}}
@article{Hirata_2015,
author = {Hirata, So and Hermes, Matthew R. and Simons, Jack and Ortiz, J. V.},
date-added = {2020-12-04 17:07:12 +0100},
date-modified = {2020-12-04 17:07:20 +0100},
doi = {10.1021/acs.jctc.5b00005},
journal = {J. Chem. Theory Comput.},
language = {en},
pages = {1595--1606},
title = {General-{{Order Many}}-{{Body Green}}'s {{Function Method}}},
volume = {11},
year = {2015},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.5b00005}}
@article{Rauhut_1998,
author ={G. Rauhut, P. Pulay and Hans-Joachim Werner},
journal={J. Comp. Chem.},
year ={1998},
volume ={19},
pages ={1241},
title ={Integral transformation with loworder scaling for large local secondorder {M\oller--Plesset} calculations},
doi ={10.1002/(SICI)1096-987X(199808)19:11<1241::AID-JCC4>3.0.CO;2-K},
}
@article{Schutz_1999,
author ={M. Sch{\"u}tz and G. Hetzer and Hans-Joachim Werner},
journal={J. Chem. Phys.},
year ={1999},
volume ={111},
pages ={5691},
title ={Low-order scaling local electron correlation methods. I. Linear scaling local MP2},
doi ={10.1063/1.479957}
}
@article{Takeshita_2017,
author ={T. Y. Takeshita and W. A. {de Jong} and D. Neuhauser and R. Baer and E. Rabani},
journal={J. Chem. Theory Comput.},
year ={2017},
volume ={13},
pages ={4605},
title ={Stochastic Formulation of the Resolution of Identity: Application to Second Order {M\oller--Plesset} Perturbation Theory},
doi ={10.1021/acs.jctc.7b00343},
}
@article{Li_2019,
author ={Zhendong Li},
journal={J. Chem. Phys.},
year ={2019},
volume ={151},
pages ={244114},
title ={Stochastic many-body perturbation theory for electron correlation energies},
doi ={10.1063/1.5128719},
}
@article{Thom_2007,
author ={A. J. W. Thom and A. Alavi},
journal={Phys. Rev. Lett.},
year ={2007},
pages ={143001},
volume ={99},
title ={Stochastic Perturbation Theory: A Low-Scaling Approach to Correlated Electronic Energies},
doi ={10.1103/PhysRevLett.99.143001},
}
@article{Willow_2012,
author ={S. Y. Willow and K. S. Kim and S. Hirata},
journal={J. Chem. Phys.},
year ={2012},
volume ={137},
pages ={204122},
title ={Stochastic evaluation of second-order many-body perturbation energies},
doi ={10.1063/1.4768697},
}
@article{Neuhauser_2012,
author ={D. Neuhauser and E. Rabani and R. Baer},
journal={J. Chem. Theory Comput.},
year ={2012},
pages ={24},
volume ={9},
title ={Expeditious Stochastic Approach for MP2 Energies in Large Electronic Systems},
doi ={10.1021/ct.300946j},
}
@article{Lee_2018,
author ={J. Lee and M. Head-Gordon},
journal={J. Chem. Theory Comput.},
year ={2018},
author = {G. Rauhut, P. Pulay and Hans-Joachim Werner},
doi = {10.1002/(SICI)1096-987X(199808)19:11<1241::AID-JCC4>3.0.CO;2-K},
journal = {J. Comp. Chem.},
pages = {1241},
title = {Integral transformation with loworder scaling for large local secondorder {M\oller--Plesset} calculations},
volume = {19},
year = {1998},
Bdsk-Url-1 = {https://doi.org/10.1002/(SICI)1096-987X(199808)19:11%3C1241::AID-JCC4%3E3.0.CO;2-K}}
@article{Schutz_1999,
author = {M. Sch{\"u}tz and G. Hetzer and Hans-Joachim Werner},
doi = {10.1063/1.479957},
journal = {J. Chem. Phys.},
pages = {5691},
title = {Low-order scaling local electron correlation methods. I. Linear scaling local MP2},
volume = {111},
year = {1999},
Bdsk-Url-1 = {https://doi.org/10.1063/1.479957}}
@article{Takeshita_2017,
author = {T. Y. Takeshita and W. A. {de Jong} and D. Neuhauser and R. Baer and E. Rabani},
doi = {10.1021/acs.jctc.7b00343},
journal = {J. Chem. Theory Comput.},
pages = {4605},
title = {Stochastic Formulation of the Resolution of Identity: Application to Second Order {M\oller--Plesset} Perturbation Theory},
volume = {13},
year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00343}}
@article{Li_2019,
author = {Zhendong Li},
doi = {10.1063/1.5128719},
journal = {J. Chem. Phys.},
pages = {244114},
title = {Stochastic many-body perturbation theory for electron correlation energies},
volume = {151},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5128719}}
@article{Thom_2007,
author = {A. J. W. Thom and A. Alavi},
doi = {10.1103/PhysRevLett.99.143001},
journal = {Phys. Rev. Lett.},
pages = {143001},
title = {Stochastic Perturbation Theory: A Low-Scaling Approach to Correlated Electronic Energies},
volume = {99},
year = {2007},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.99.143001}}
@article{Willow_2012,
author = {S. Y. Willow and K. S. Kim and S. Hirata},
doi = {10.1063/1.4768697},
journal = {J. Chem. Phys.},
pages = {204122},
title = {Stochastic evaluation of second-order many-body perturbation energies},
volume = {137},
year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4768697}}
@article{Neuhauser_2012,
author = {D. Neuhauser and E. Rabani and R. Baer},
doi = {10.1021/ct.300946j},
journal = {J. Chem. Theory Comput.},
pages = {24},
title = {Expeditious Stochastic Approach for MP2 Energies in Large Electronic Systems},
volume = {9},
year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1021/ct.300946j}}
@article{Lee_2018,
author = {J. Lee and M. Head-Gordon},
doi = {10.1021/acs.jctc.8b00731},
journal = {J. Chem. Theory Comput.},
pages = {5203},
title = {Regularized Orbital-Optimized Second-Order M{\o}ller--Plesset Perturbation Theory: A Reliable Fifth-Order-Scaling Electron Correlation Model with Orbital Energy Dependent Regularizers},
year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00731}}
pages ={5203},
title ={Regularized Orbital-Optimized Second-Order MøllerPlesset Perturbation Theory: A Reliable Fifth-Order-Scaling Electron Correlation Model with Orbital Energy Dependent Regularizers},
doi ={10.1021/acs.jctc.8b00731},
}
@article{Bertels_2019,
author ={L. W. Bertels and J. Lee and M. Head-Gordon},
journal={J. Phys. Chem. Lett.},
year ={2019},
volume ={10},
pages ={4170},
title ={Third-Order {M\ollerPlesset} Perturbation Theory Made Useful? Choice of Orbitals and Scaling Greatly Improves Accuracy for Thermochemistry, Kinetics, and Intermolecular Interactions},
doi ={10.1021/acs.jpclett.9b01641},
}
author = {L. W. Bertels and J. Lee and M. Head-Gordon},
doi = {10.1021/acs.jpclett.9b01641},
journal = {J. Phys. Chem. Lett.},
pages = {4170},
title = {Third-Order {M\oller--Plesset} Perturbation Theory Made Useful? Choice of Orbitals and Scaling Greatly Improves Accuracy for Thermochemistry, Kinetics, and Intermolecular Interactions},
volume = {10},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.9b01641}}
@article{CarterFenk_2020,
author ={K. Carter-Fenk and J. M. Herbert},
journal={J. Chem. Teory Comput.},
year ={2020},
volume ={16},
pages ={5067},
title ={State-Targeted Energy Projection: A Simple and Robust Approach to Orbital Relaxation of Non-Aufbau Self-Consistent Field Solutions},
doi ={10.1021/acs.jctc.0c00502},
}
author = {K. Carter-Fenk and J. M. Herbert},
doi = {10.1021/acs.jctc.0c00502},
journal = {J. Chem. Teory Comput.},
pages = {5067},
title = {State-Targeted Energy Projection: A Simple and Robust Approach to Orbital Relaxation of Non-Aufbau Self-Consistent Field Solutions},
volume = {16},
year = {2020},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.0c00502}}
@article{Rettig_2020,
author ={A. Rettig and D. Hait and L. W. Bertels and M. Head-Gordon},
journal={J. Chem. Teory Comput.},
year ={2020},
title ={Third-Order {M\oller--Plesset} Theory Made More Useful? The Role of Density Functional Theory Orbitals},
doi ={10.1021/acs.jctc.0c00986},
}
author = {A. Rettig and D. Hait and L. W. Bertels and M. Head-Gordon},
doi = {10.1021/acs.jctc.0c00986},
journal = {J. Chem. Teory Comput.},
title = {Third-Order {M\oller--Plesset} Theory Made More Useful? The Role of Density Functional Theory Orbitals},
year = {2020},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.0c00986}}
@article{Neese_2009,
author ={F. Neese and T. Schwabe and S. Kossmann and B. Schirmer and S. Grimme},
journal={J. Chem. Teory Comput.},
volume ={5},
pages ={3060},
title ={Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics},
year ={2009},
doi ={10.1021/ct9003299}
}
author = {F. Neese and T. Schwabe and S. Kossmann and B. Schirmer and S. Grimme},
doi = {10.1021/ct9003299},
journal = {J. Chem. Teory Comput.},
pages = {3060},
title = {Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics},
volume = {5},
year = {2009},
Bdsk-Url-1 = {https://doi.org/10.1021/ct9003299}}
@article{Bozkaya_2011,
author ={U. Bozkaya},
journal={J. Chem. Phys.},
volume ={135},
pages ={224103},
title ={Orbital-optimized third-order {M\oller--Plesset} perturbation theory and its spin-component and spin-opposite scaled variants: Application to symmetry breaking problems},
year ={2011},
doi ={10.1063/1.3665134},
}
author = {U. Bozkaya},
doi = {10.1063/1.3665134},
journal = {J. Chem. Phys.},
pages = {224103},
title = {Orbital-optimized third-order {M\oller--Plesset} perturbation theory and its spin-component and spin-opposite scaled variants: Application to symmetry breaking problems},
volume = {135},
year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3665134}}
@article{Lee_2019,
author ={Joonho Lee and David W. Small and Martin Head-Gordon},
journal={J. Chem. Phys.},
pages ={214103},
title ={Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states},
volume ={151},
year ={2019},
doi ={10.1063/1.5128795}
}
author = {Joonho Lee and David W. Small and Martin Head-Gordon},
doi = {10.1063/1.5128795},
journal = {J. Chem. Phys.},
pages = {214103},
title = {Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states},
volume = {151},
year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5128795}}
@article{Shepherd_2016,
author = {Shepherd,James J. and Henderson,Thomas M. and Scuseria,Gustavo E.},
date-added = {2020-12-04 09:50:38 +0100},

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@ -1912,7 +1912,7 @@ on the symmetric (or asymmetric in one occasion) Hubbard dimer at half-filling.
Although extremely simple, these illustrations highlight the incredible versatility of the Hubbard model
for understanding the subtle features of perturbation theory in the complex plane, alongisde other examples
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,Tarantino_2017,Olevano_2019}
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.
In particular, we have shown that the Hubbard dimer contains sufficient flexibility to describe