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%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/
%% Created for Pierre-Francois Loos at 2019-10-14 10:43:41 +0200
%% Saved with string encoding Unicode (UTF-8)
@article{Weigend_2003a,
Author = {Weigend, Florian and Furche, Filipp and Ahlrichs, Reinhart},
Date-Added = {2019-10-14 10:42:46 +0200},
Date-Modified = {2019-10-14 10:42:56 +0200},
Doi = {10.1063/1.1627293},
Journal = {J. Chem. Phys.},
Page = {12753-12762},
Title = {Gaussian basis sets of quadruple zeta valence quality for atoms H-Kr},
Volume = {119},
Year = {2003},
Bdsk-Url-1 = {https://doi.org/10.1063/1.1627293}}
@article{Weigend_2005a,
Author = {Weigend, Florian and Ahlrichs, Reinhart},
Date-Added = {2019-10-14 10:42:17 +0200},
Date-Modified = {2019-10-14 10:42:27 +0200},
Doi = {10.1039/b508541a},
Journal = {Phys. Chem. Chem. Phys.},
Page = {3297},
Title = {Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy},
Volume = {7},
Year = {2005},
Bdsk-Url-1 = {https://doi.org/10.1039/b508541a}}
@article{Jacquemin_2016,
Author = {D. Jacquemin and I. Duchemin and X. Blase},
Date-Added = {2019-10-14 10:02:38 +0200},
Date-Modified = {2019-10-14 10:03:34 +0200},
Doi = {10.1080/00268976.2015.1119901},
Journal = {Mol. Phys.},
Pages = {957},
Title = {Assessment Of The Convergence Of Partially Self- Consistent Bse/Gw Calculations},
Volume = {114},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2015.1119901}}
@article{Marini_2009,
Author = {Andrea Marini and Conor Hogan and Myrta Gruning and Daniele Varsano},
Date-Added = {2019-10-14 09:56:13 +0200},
Date-Modified = {2019-10-14 10:04:07 +0200},
Doi = {10.1016/j.cpc.2009.02.003},
Journal = {Comp. Phys. Comm.},
Pages = {1392},
Title = {Yambo: An Ab Initio Tool For Excited State Calculations},
Volume = {180},
Year = {2009},
Bdsk-Url-1 = {https://doi.org/10.1016/j.cpc.2009.02.003}}
@article{Deslippe_2012,
Author = {Jack Deslippe and Georgy Samsonidze and David A. Strubbe and Manish Jain and Marvin L. Cohen and Steven G. Louie},
Date-Added = {2019-10-14 09:53:28 +0200},
Date-Modified = {2019-10-14 10:04:32 +0200},
Doi = {10.1016/j.cpc.2011.12.006},
Journal = {Comput. Phys. Commun.},
Pages = {1269},
Title = {BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures},
Volume = {183},
Year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1016/j.cpc.2011.12.006}}
@article{Lewis_2019a,
Author = {Alan M. Lewis and Timothy C. Berkelbach},
Date-Added = {2019-10-12 14:31:33 +0200},
Date-Modified = {2019-10-12 14:32:30 +0200},
Doi = {10.1021/acs.jctc.8b00995},
Journal = {J. Chem. Theory Comput.},
Pages = {2925},
Title = {Vertex Corrections to the Polarizability Do Not Improve the GW Approximation for the Ionization Potential of Molecules},
Volume = {15},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00995}}
@article{Veril_2018,
Author = {M. Veril and P. Romaniello and J. A. Berger and P. F. Loos},
Date-Added = {2019-10-11 22:25:14 +0200},
Date-Modified = {2019-10-11 22:26:57 +0200},
Doi = {10.1021/acs.jctc.8b00745},
Journal = {J. Chem. Theory Comput.},
Pages = {5220},
Title = {Unphysical Discontinuities in GW Methods},
Volume = {14},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00745}}
@article{QP2,
Author = {Y. Garniron and K. Gasperich and T. Applencourt and A. Benali and A. Fert{\'e} and J. Paquier and B. Pradines and R. Assaraf and P. Reinhardt and J. Toulouse and P. Barbaresco and N. Renon and G. David and J. P. Malrieu and M. V{\'e}ril and M. Caffarel and P. F. Loos and E. Giner and A. Scemama},
Date-Added = {2019-10-08 22:08:05 +0200},
Date-Modified = {2019-10-08 22:08:05 +0200},
Doi = {10.1021/acs.jctc.9b00176},
Journal = {J. Chem. Theory Comput.},
Pages = {3591},
Title = {Quantum Package 2.0: A Open-Source Determinant-Driven Suite Of Programs},
Volume = {15},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00176}}
@article{Krause_2015,
Author = {K. Krause and M. E. Harding and W. Klopper},
Date-Added = {2019-10-08 22:05:00 +0200},
Date-Modified = {2019-10-08 22:07:43 +0200},
Journal = {Mol. Phys.},
Keywords = {10.1080/00268976.2015.1025113},
Pages = {1952},
Title = {Coupled-cluster reference values for the GW27 and GW100 test sets for the assessment of GW methods},
Volume = {113},
Year = {2015}}
@article{Teke_2019,
Author = {N. K. Teke and F. Pavosevic and C. Peng and E. F. Valeev},
Date-Added = {2019-10-08 21:02:47 +0200},
Date-Modified = {2019-10-08 21:04:04 +0200},
Doi = {10.1063/1.5090983},
Journal = {J. Chem. Phys.},
Pages = {214103},
Title = {Explicitly correlated renormalized second-order Green's function for accurate ionization potentials of closed-shell molecules},
Volume = {150},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5090983}}
@article{Johnson_2018,
Author = {C. M. Johnson and A. E. Doran and S. L. Ten-no and S. Hirata},
Date-Added = {2019-10-08 20:59:18 +0200},
Date-Modified = {2019-10-09 11:44:29 +0200},
Doi = {10.1063/1.5054610},
Journal = {J. Chem. Phys.},
Pages = {174112},
Title = {Monte Carlo explicitly correlated many-body Green's function theory},
Volume = {149},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5054610}}
@article{Lee_2018,
Author = {J. Lee and M. Head-Gordon},
Date-Added = {2018-09-01 12:02:40 +0200},
Date-Modified = {2018-09-01 12:03:38 +0200},
Doi = {10.1021/acs.jctc.8b00731},
Journal = {J. Chem. Theory Comput.},
Pages = {ASAP article},
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}}
@article{Scuseria_1986,
Author = {G. E. Scuseria and T. J. Lee and H. F. {Schaefer III}},
Date-Added = {2018-09-01 11:53:43 +0200},
Date-Modified = {2018-09-01 12:03:54 +0200},
Doi = {10.1016/0009-2614(86)80461-4},
Journal = {Chem. Phys. Lett.},
Pages = {236--239},
Title = {Accelerating the convergence of the coupled-cluster approach: The use of the DIIS method},
Volume = {130},
Year = {1986},
Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(86)80461-4}}
@article{Sangalli_2011,
Author = {D. Sangalli and P. Romaniello and G. Onida and A. Marini},
Date-Added = {2018-08-21 22:20:47 +0200},
Date-Modified = {2018-08-21 22:21:46 +0200},
Doi = {10.1063/1.3518705},
Journal = {J. Chem. Phys.},
Pages = {034115},
Title = {Double excitations in correlated systems: A many--body approach},
Volume = {134},
Year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3518705}}
@article{Li_2014,
Author = {Li, Zhendong and Suo, Bingbing and Liu, Wenjian},
Date-Added = {2018-07-08 13:37:50 +0000},
Date-Modified = {2018-07-08 13:37:50 +0000},
Doi = {10.1063/1.4903986},
File = {/Users/loos/Zotero/storage/48QYYQAM/Li et al. - 2014 - First order nonadiabatic coupling matrix elements .pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = dec,
Number = {24},
Pages = {244105},
Shorttitle = {First Order Nonadiabatic Coupling Matrix Elements between Excited States},
Title = {First Order Nonadiabatic Coupling Matrix Elements between Excited States: {{Implementation}} and Application at the {{TD}}-{{DFT}} and Pp-{{TDA}} Levels},
Volume = {141},
Year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4903986}}
@article{Ou_2015,
Author = {Ou, Qi and Bellchambers, Gregory D. and Furche, Filipp and Subotnik, Joseph E.},
Date-Added = {2018-07-08 13:37:50 +0000},
Date-Modified = {2018-07-08 13:37:50 +0000},
Doi = {10.1063/1.4906941},
File = {/Users/loos/Zotero/storage/8YBF69YK/Ou et al. - 2015 - First-order derivative couplings between excited s.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = feb,
Number = {6},
Pages = {064114},
Title = {First-Order Derivative Couplings between Excited States from Adiabatic {{TDDFT}} Response Theory},
Volume = {142},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4906941}}
@article{Zhang_2015,
Author = {Zhang, Xing and Herbert, John M.},
Date-Added = {2018-07-08 13:37:50 +0000},
Date-Modified = {2018-07-08 13:37:50 +0000},
Doi = {10.1063/1.4907376},
File = {/Users/loos/Zotero/storage/DHB7LEFQ/Zhang and Herbert - 2015 - Analytic derivative couplings in time-dependent de.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = feb,
Number = {6},
Pages = {064109},
Shorttitle = {Analytic Derivative Couplings in Time-Dependent Density Functional Theory},
Title = {Analytic Derivative Couplings in Time-Dependent Density Functional Theory: {{Quadratic}} Response Theory versus Pseudo-Wavefunction Approach},
Volume = {142},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4907376}}
@article{DiSabatino_2016,
Author = {Di Sabatino, Stefano and Berger, J. A. and Reining, Lucia and Romaniello, Pina},
Date-Added = {2018-07-06 11:15:19 +0000},
Date-Modified = {2018-07-18 13:09:33 +0000},
Doi = {10.1103/PhysRevB.94.155141},
Issn = {2469-9950, 2469-9969},
Journal = {Physical Review B},
Language = {en},
Month = oct,
Number = {15},
Pages = {155141},
Shorttitle = {Photoemission Spectra from Reduced Density Matrices},
Title = {Photoemission Spectra from Reduced Density Matrices: {{The}} Band Gap in Strongly Correlated Systems},
Volume = {94},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.94.155141}}
@article{DiSabatino_2015,
Author = {Di Sabatino,S. and Berger,J. A. and Reining,L. and Romaniello,P.},
Doi = {10.1063/1.4926327},
Journal = {J. Chem. Phys.},
Number = {2},
Pages = {024108},
Title = {Reduced density-matrix functional theory: Correlation and spectroscopy},
Volume = {143},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4926327}}
@article{Gui_2018,
Abstract = {The performance of the Bethe-Salpeter equation (BSE) approach for the first-principles computation of singlet and triplet excitation energies of small organic, closed-shell molecules has been assessed with respect to the quasiparticle energies used on input, obtained at various levels of GW theory. In the corresponding GW computations, quasiparticle energies have been computed for all orbital levels by means of using full spectral functions. The assessment reveals that, for valence excited states, quasiparticle energies obtained at the levels of eigenvalue-only self-consistent (evGW) or quasiparticle self-consistent theory (qsGW) are required to obtain results of comparable accuracy as in timedependent density-functional theory (TDDFT) using a hybrid functional such as PBE0. In contrast to TDDFT, however, the BSE approach performs well not only for valence excited states but also for excited states with Rydberg or charge-transfer character. To demonstrate the applicability of the BSE approach, computation times are reported for a set of aromatic hydrocarbons. Furthermore, examples of computations of ordinary photoabsorption and electronic circular dichroism spectra are presented for (C60)2 and C84, respectively.},
Author = {Gui, Xin and Holzer, Christof and Klopper, Wim},
Date-Added = {2018-07-06 11:01:02 +0000},
Date-Modified = {2018-07-06 11:04:53 +0000},
Doi = {10.1021/acs.jctc.8b00014},
File = {/Users/loos/Zotero/storage/IUX26JSD/Gui et al. - 2018 - Accuracy Assessment of iGWi Starting Points f.pdf},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = apr,
Number = {4},
Pages = {2127-2136},
Title = {Accuracy {{Assessment}} of {{{\emph{GW}}}} {{Starting Points}} for {{Calculating Molecular Excitation Energies Using}} the {{Bethe}}\textendash{{Salpeter Formalism}}},
Volume = {14},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00014}}
@article{Langre_2018,
Author = {M. F. Lange and T. C. Berkelbach},
Date-Added = {2018-07-06 10:58:12 +0000},
Date-Modified = {2018-07-06 11:05:42 +0000},
Journal = {arXiv},
Pages = {1805.00043},
Title = {On The Relation Between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation},
Year = {2018}}
@article{Parker_2016,
Author = {Parker, Shane M. and Roy, Saswata and Furche, Filipp},
Date-Added = {2018-07-05 14:45:36 +0000},
Date-Modified = {2018-07-05 14:45:36 +0000},
Doi = {10.1063/1.4963749},
File = {/Users/loos/Zotero/storage/GZA8PHWK/Parker et al. - 2016 - Unphysical divergences in response theory.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {The Journal of Chemical Physics},
Language = {en},
Month = oct,
Number = {13},
Pages = {134105},
Title = {Unphysical Divergences in Response Theory},
Volume = {145},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4963749}}
@article{Cave_2004,
Abstract = {The nature and energetics of the low-lying singlet states of polyenes have presented significant challenges for electronic structure methods. This is particularly true for conventional implementations of time-dependent density functional theory (TDDFT), which, because of their use of the adiabatic approximation, have difficulty in describing states of `doubly-excited character'. We show that use of our recently developed `Dressed TDDFT' approach provides a compact and accurate method for treating these doubly excited states, by use of a frequency-dependent exchange-correlation kernel. We present results for the vertical absorption energy for the 21Ag states of butadiene and hexatriene, and the vertical fluorescence and 0\textendash{}0 transitions for the 21Ag state of butadiene.},
Author = {Cave, Robert J. and Zhang, Fan and Maitra, Neepa T. and Burke, Kieron},
Date-Added = {2018-07-05 08:28:40 +0000},
Date-Modified = {2018-07-05 09:24:39 +0000},
Doi = {10.1016/j.cplett.2004.03.051},
File = {/Users/loos/Zotero/storage/G6AZSCLV/Cave et al. - 2004 - A dressed TDDFT treatment of the 21Ag states of bu.pdf},
Issn = {00092614},
Journal = {Chem. Phys. Lett.},
Language = {en},
Month = may,
Number = {1-3},
Pages = {39--42},
Title = {A Dressed {{TDDFT}} Treatment of the {{21Ag}} States of Butadiene and Hexatriene},
Volume = {389},
Year = {2004},
Bdsk-Url-1 = {https://doi.org/10.1016/j.cplett.2004.03.051}}
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Address = {Clarendon Press},
Author = {R. G. Parr and W. Yang},
Date-Added = {2018-07-04 21:10:00 +0000},
Date-Modified = {2018-07-04 21:10:00 +0000},
Keywords = {dft; qmech},
Publisher = {Oxford},
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Author = {P. M. W. Gill},
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Author = {K. P. Huber and G. Herzberg},
Date-Added = {2018-07-02 11:52:15 +0000},
Date-Modified = {2018-07-02 11:52:15 +0000},
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Author = {N. T. Maitra and F. Zhang, R. J. Cave and K. Burke},
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Author = {F. Caruso and M. Dauth and M. J. {van Setten} and P. Rinke},
Date-Added = {2018-06-29 11:23:57 +0000},
Date-Modified = {2018-06-29 11:25:49 +0000},
Doi = {10.1021/acs.jctc.6b00774},
Journal = {J. Chem. Theory Comput.},
Pages = {5076},
Title = {Benchmark of GW Approaches for the GW100 Test Set},
Volume = {12},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b00774}}
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Author = {P. F. Loos and P. Romaniello and J. A. Berger},
Date-Added = {2018-06-27 18:40:35 +0000},
Date-Modified = {2018-07-18 13:04:09 +0000},
Doi = {10.1021/acs.jctc.8b00260},
Journal = {J. Chem. Theory Comput.},
Pages = {3071--3082},
Title = {Green functions and self-consistency: insights from the spherium model},
Volume = {14},
Year = {2018},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.8b00260}}
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Author = {Curtiss, Larry A. and Raghavachari, Krishnan and Trucks, Gary W. and Pople, John A.},
Date-Added = {2018-04-23 07:38:41 +0000},
Date-Modified = {2018-04-23 07:38:41 +0000},
Doi = {10.1063/1.460205},
Issn = {0021-9606, 1089-7690},
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Language = {en},
Month = jun,
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Title = {Gaussian-2 Theory for Molecular Energies of First- and Second-row Compounds},
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Year = {1991},
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Author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
Date-Added = {2018-04-23 07:38:41 +0000},
Date-Modified = {2018-04-23 07:38:41 +0000},
Doi = {10.1021/acs.jctc.5b00304},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = jul,
Number = {7},
Pages = {3290-3304},
Title = {Benchmarking the {{Bethe}}\textendash{}{{Salpeter Formalism}} on a {{Standard Organic Molecular Set}}},
Volume = {11},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00304}}
@article{Schreiber_2008,
Author = {Schreiber, Marko and Silva-Junior, Mario R. and Sauer, Stephan P. A. and Thiel, Walter},
Date-Added = {2018-04-23 07:38:41 +0000},
Date-Modified = {2018-04-23 07:38:41 +0000},
Doi = {10.1063/1.2889385},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = apr,
Number = {13},
Pages = {134110},
Shorttitle = {Benchmarks for Electronically Excited States},
Title = {Benchmarks for Electronically Excited States: {{CASPT2}}, {{CC2}}, {{CCSD}}, and {{CC3}}},
Volume = {128},
Year = {2008},
Bdsk-Url-1 = {https://doi.org/10.1063/1.2889385}}
@article{Silva-Junior_2010,
Author = {Silva-Junior, Mario R. and Schreiber, Marko and Sauer, Stephan P. A. and Thiel, Walter},
Date-Added = {2018-04-23 07:38:41 +0000},
Date-Modified = {2018-04-23 07:38:41 +0000},
Doi = {10.1063/1.3499598},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = nov,
Number = {17},
Pages = {174318},
Shorttitle = {Benchmarks of Electronically Excited States},
Title = {Benchmarks of Electronically Excited States: {{Basis}} Set Effects on {{CASPT2}} Results},
Volume = {133},
Year = {2010},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3499598}}
@article{Silva-Junior_2010b,
Author = {Silva-Junior, Mario R. and Sauer, Stephan P.A. and Schreiber, Marko and Thiel, Walter},
Date-Added = {2018-04-23 07:38:41 +0000},
Date-Modified = {2018-04-23 07:38:41 +0000},
Doi = {10.1080/00268970903549047},
Issn = {0026-8976, 1362-3028},
Journal = {Mol. Phys.},
Language = {en},
Month = feb,
Number = {3-4},
Pages = {453-465},
Shorttitle = {Basis Set Effects on Coupled Cluster Benchmarks of Electronically Excited States},
Title = {Basis Set Effects on Coupled Cluster Benchmarks of Electronically Excited States: {{CC3}}, {{CCSDR}}(3) and {{CC2}}},
Volume = {108},
Year = {2010},
Bdsk-Url-1 = {https://doi.org/10.1080/00268970903549047}}
@article{Dolgounitcheva_2016,
Author = {Dolgounitcheva, O. and D{\'\i}az-Tinoco, Manuel and Zakrzewski, V. G. and Richard, Ryan M. and Marom, Noa and Sherrill, C. David and Ortiz, J. V.},
Date-Added = {2018-04-22 16:22:34 +0000},
Date-Modified = {2018-04-22 16:22:34 +0000},
Doi = {10.1021/acs.jctc.5b00872},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = feb,
Number = {2},
Pages = {627-637},
Shorttitle = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules IV}}},
Title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules IV}}: {{Electron}}-{{Propagator Methods}}},
Volume = {12},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00872}}
@article{Gallandi_2016,
Author = {Gallandi, Lukas and Marom, Noa and Rinke, Patrick and K{\"o}rzd{\"o}rfer, Thomas},
Date-Added = {2018-04-22 16:22:34 +0000},
Date-Modified = {2018-04-22 16:22:34 +0000},
Doi = {10.1021/acs.jctc.5b00873},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = feb,
Number = {2},
Pages = {605-614},
Shorttitle = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules II}}},
Title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules II}}: {{Non}}-{{Empirically Tuned Long}}-{{Range Corrected Hybrid Functionals}}},
Volume = {12},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00873}}
@article{Knight_2016,
Author = {Knight, Joseph W. and Wang, Xiaopeng and Gallandi, Lukas and Dolgounitcheva, Olga and Ren, Xinguo and Ortiz, J. Vincent and Rinke, Patrick and K{\"o}rzd{\"o}rfer, Thomas and Marom, Noa},
Date-Added = {2018-04-22 16:22:34 +0000},
Date-Modified = {2018-04-22 16:22:34 +0000},
Doi = {10.1021/acs.jctc.5b00871},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = feb,
Number = {2},
Pages = {615-626},
Shorttitle = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules III}}},
Title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules III}}: {{A Benchmark}} of {{{\emph{GW}}}} {{Methods}}},
Volume = {12},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00871}}
@article{Maggio_2017,
Author = {Maggio, Emanuele and Liu, Peitao and {van Setten}, Michiel J. and Kresse, Georg},
Date-Added = {2018-04-22 16:22:34 +0000},
Date-Modified = {2018-04-22 16:22:34 +0000},
Doi = {10.1021/acs.jctc.6b01150},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = feb,
Number = {2},
Pages = {635-648},
Shorttitle = {{{{\emph{GW}}}} 100},
Title = {{{{\emph{GW}}}} 100: {{A Plane Wave Perspective}} for {{Small Molecules}}},
Volume = {13},
Year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b01150}}
@article{Richard_2016,
Author = {Richard, Ryan M. and Marshall, Michael S. and Dolgounitcheva, O. and Ortiz, J. V. and Br{\'e}das, Jean-Luc and Marom, Noa and Sherrill, C. David},
Date-Added = {2018-04-22 16:22:34 +0000},
Date-Modified = {2018-04-22 16:22:34 +0000},
Doi = {10.1021/acs.jctc.5b00875},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = feb,
Number = {2},
Pages = {595-604},
Title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules I}}. {{Reference Data}} at the {{CCSD}}({{T}}) {{Complete Basis Set Limit}}},
Volume = {12},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00875}}
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Author = {Rusakov, Alexander A. and Phillips, Jordan J. and Zgid, Dominika},
Date-Added = {2018-04-22 16:22:34 +0000},
Date-Modified = {2018-04-22 16:22:34 +0000},
Doi = {10.1063/1.4901432},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = nov,
Number = {19},
Pages = {194105},
Title = {Local {{Hamiltonians}} for Quantitative {{Green}}'s Function Embedding Methods},
Volume = {141},
Year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4901432}}
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Author = {Baym, Gordon and Kadanoff, Leo P.},
Date-Added = {2018-04-21 09:30:30 +0000},
Date-Modified = {2018-04-21 09:30:30 +0000},
Doi = {10.1103/PhysRev.124.287},
Issn = {0031-899X},
Journal = {Phys. Rev.},
Language = {en},
Month = oct,
Number = {2},
Pages = {287--299},
Title = {Conservation {{Laws}} and {{Correlation Functions}}},
Volume = {124},
Year = {1961},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.124.287}}
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Author = {Baym, Gordon},
Date-Added = {2018-04-21 09:30:30 +0000},
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Doi = {10.1103/PhysRev.127.1391},
Issn = {0031-899X},
Journal = {Phys. Rev.},
Language = {en},
Month = aug,
Number = {4},
Pages = {1391--1401},
Title = {Self-{{Consistent Approximations}} in {{Many}}-{{Body Systems}}},
Volume = {127},
Year = {1962},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.127.1391}}
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Author = {Martin, Paul C. and Schwinger, Julian},
Date-Added = {2018-04-21 09:30:30 +0000},
Date-Modified = {2018-04-21 09:30:30 +0000},
Doi = {10.1103/PhysRev.115.1342},
Issn = {0031-899X},
Journal = {Phys. Rev.},
Language = {en},
Month = sep,
Number = {6},
Pages = {1342--1373},
Title = {Theory of {{Many}}-{{Particle Systems}}. {{I}}},
Volume = {115},
Year = {1959},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.115.1342}}
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Author = {A. L. Fetter and J. D. Waleck},
Date-Added = {2018-04-21 09:25:00 +0000},
Date-Modified = {2018-04-21 09:25:48 +0000},
Publisher = {McGraw Hill, San Francisco},
Title = {Quantum Theory of Many Particle Systems},
Year = {1971}}
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Author = {Luttinger, J. M. and Ward, J. C.},
Date-Added = {2018-03-12 11:16:46 +0000},
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Doi = {10.1103/PhysRev.118.1417},
Issn = {0031-899X},
Journal = {Physical Review},
Language = {en},
Month = jun,
Number = {5},
Pages = {1417--1427},
Title = {Ground-{State} {Energy} of a {Many}-{Fermion} {System}. {II}},
Url = {https://link.aps.org/doi/10.1103/PhysRev.118.1417},
Urldate = {2018-03-12},
Volume = {118},
Year = {1960},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRev.118.1417},
Bdsk-Url-2 = {https://dx.doi.org/10.1103/PhysRev.118.1417}}
@article{Ren_2012,
Author = {Ren, Xinguo and Rinke, Patrick and Joas, Christian and Scheffler, Matthias},
Date-Added = {2018-03-08 21:19:25 +0000},
Date-Modified = {2018-03-08 21:19:25 +0000},
Doi = {10.1007/s10853-012-6570-4},
Issn = {0022-2461, 1573-4803},
Journal = {J. Mater. Sci.},
Language = {en},
Month = nov,
Number = {21},
Pages = {7447--7471},
Title = {Random-Phase Approximation and Its Applications in Computational Chemistry and Materials Science},
Volume = {47},
Year = {2012},
Bdsk-Url-1 = {https://dx.doi.org/10.1007/s10853-012-6570-4}}
@article{Wetherell_2018,
Author = {Wetherell, J. and Hodgson, M. J. P. and Godby, R. W.},
Date-Added = {2018-03-08 21:16:56 +0000},
Date-Modified = {2018-04-14 07:32:38 +0000},
Doi = {10.1103/PhysRevB.97.121102},
Issn = {2469-9950, 2469-9969},
Journal = {Phys. Rev. B},
Language = {en},
Month = mar,
Number = {12},
Pages = {121102},
Title = {G {{W}} Self-Screening Error and Its Correction Using a Local Density Functional},
Volume = {97},
Year = {2018},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.97.121102}}
@article{Aryasetiawan_2012,
Author = {Aryasetiawan, F. and Sakuma, R. and Karlsson, K.},
Date-Added = {2018-03-06 20:22:33 +0000},
Date-Modified = {2018-04-14 07:25:24 +0000},
Doi = {10.1103/PhysRevB.85.035106},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = jan,
Number = {3},
Pages = {035106},
Title = {G {{W}} Approximation with Self-Screening Correction},
Volume = {85},
Year = {2012},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.85.035106}}
@book{Martin_2016,
Abstract = {"Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation"--},
Address = {New York, NY},
Author = {Martin, Richard M. and Reining, Lucia and Ceperley, David},
Date-Added = {2018-03-06 19:42:15 +0000},
Date-Modified = {2018-03-06 19:42:15 +0000},
Isbn = {978-0-521-87150-1},
Keywords = {Electronic structure,Electrons,Many-body problem,Monte Carlo method,Perturbation (Quantum dynamics),Quantum theory},
Lccn = {QC176.8.E4 M368 2016},
Publisher = {{Cambridge University Press}},
Shorttitle = {Interacting Electrons},
Title = {Interacting Electrons: Theory and Computational Approaches},
Year = {2016}}
@article{Phillips_2014,
Author = {Phillips, Jordan J. and Zgid, Dominika},
Date-Added = {2018-03-06 19:42:15 +0000},
Date-Modified = {2018-03-06 19:42:15 +0000},
Doi = {10.1063/1.4884951},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = jun,
Number = {24},
Pages = {241101},
Shorttitle = {Communication},
Title = {Communication: {{The}} Description of Strong Correlation within Self-Consistent {{Green}}'s Function Second-Order Perturbation Theory},
Volume = {140},
Year = {2014},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4884951}}
@article{Phillips_2015,
Author = {Phillips, Jordan J. and Kananenka, Alexei A. and Zgid, Dominika},
Date-Added = {2018-03-06 19:42:15 +0000},
Date-Modified = {2018-03-06 19:42:15 +0000},
Doi = {10.1063/1.4921259},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = may,
Number = {19},
Pages = {194108},
Title = {Fractional Charge and Spin Errors in Self-Consistent {{Green}}'s Function Theory},
Volume = {142},
Year = {2015},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4921259}}
@article{Rusakov_2016,
Author = {Rusakov, Alexander A. and Zgid, Dominika},
Date-Added = {2018-03-06 19:42:15 +0000},
Date-Modified = {2018-03-06 19:42:15 +0000},
Doi = {10.1063/1.4940900},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = feb,
Number = {5},
Pages = {054106},
Title = {Self-Consistent Second-Order {{Green}}'s Function Perturbation Theory for Periodic Systems},
Volume = {144},
Year = {2016},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4940900}}
@book{Stefanucci_2013,
Abstract = {"The Green's function method is one of the most powerful and versatile formalisms in physics, and its nonequilibrium version has proved invaluable in many research fields. This book provides a unique, self-contained introduction to nonequilibrium many-body theory. Starting with basic quantum mechanics, the authors introduce the equilibrium and nonequilibrium Green's function formalisms within a unified framework called the contour formalism. The physical content of the contour Green's functions and the diagrammatic expansions are explained with a focus on the time-dependent aspect. Every result is derived step-by-step, critically discussed and then applied to different physical systems, ranging from molecules and nanostructures to metals and insulators. With an abundance of illustrative examples, this accessible book is ideal for graduate students and researchers who are interested in excited state properties of matter and nonequilibrium physics"--},
Address = {Cambridge},
Author = {Stefanucci, Gianluca and van Leeuwen, Robert},
Date-Added = {2018-03-06 19:42:15 +0000},
Date-Modified = {2018-03-06 19:42:15 +0000},
Isbn = {978-0-521-76617-3},
Keywords = {Many-body problem,Quantum theory,Green's functions,Mathematics,SCIENCE / Physics},
Lccn = {QC174.17.G68 S74 2013},
Publisher = {{Cambridge University Press}},
Shorttitle = {Nonequilibrium Many-Body Theory of Quantum Systems},
Title = {Nonequilibrium Many-Body Theory of Quantum Systems: A Modern Introduction},
Year = {2013}}
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Author = {Strinati, G.},
Date-Added = {2018-03-06 19:42:15 +0000},
Date-Modified = {2018-03-06 19:42:15 +0000},
Doi = {10.1007/BF02725962},
Issn = {1826-9850},
Journal = {Riv. Nuovo Cimento},
Language = {en},
Month = dec,
Number = {12},
Pages = {1--86},
Title = {Application of the {{Green}}'s Functions Method to the Study of the Optical Properties of Semiconductors},
Volume = {11},
Year = {1988},
Bdsk-Url-1 = {https://dx.doi.org/10.1007/BF02725962}}
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Author = {{von Barth}, Ulf and Holm, Bengt},
Date-Added = {2018-03-06 19:42:15 +0000},
Date-Modified = {2018-07-05 09:37:45 +0000},
Doi = {10.1103/PhysRevB.54.8411},
File = {/Users/loos/Zotero/storage/QZN2CFQX/vonBarth_1996.pdf},
Journal = {Phys. Rev. B},
Number = {12},
Pages = {8411},
Shorttitle = {Self-Consistent {{GW}} 0 Results for the Electron Gas},
Title = {Self-Consistent {{GW}} 0 Results for the Electron Gas: {{Fixed}} Screened Potential {{W}} 0 within the Random-Phase Approximation},
Volume = {54},
Year = {1996},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.54.8411}}
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Author = {Casida, Mark E. and Chong, Delano P.},
Date-Added = {2018-03-03 16:36:07 +0000},
Date-Modified = {2018-07-18 13:20:19 +0000},
Doi = {10.1103/PhysRevA.40.4837},
File = {/Users/loos/Zotero/storage/Q9SZH8DT/Casida_1989.pdf},
Journal = {Phys. Rev. A},
Number = {9},
Pages = {4837--4848},
Title = {Physical Interpretation and Assessment of the {{Coulomb}}-Hole and Screened-Exchange Approximation for Molecules},
Volume = {40},
Year = {1989},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.40.4837}}
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Author = {Casida, Mark E. and Chong, Delano P.},
Date-Added = {2018-03-03 16:36:07 +0000},
Date-Modified = {2018-07-18 13:19:04 +0000},
Doi = {10.1103/PhysRevA.44.5773},
File = {/Users/loos/Zotero/storage/56Z844J7/Casida_1991a.pdf},
Journal = {Phys. Rev. A},
Number = {9},
Pages = {5773--5783},
Shorttitle = {Simplified {{Green}}-Function Approximations},
Title = {Simplified {{Green}}-Function Approximations: {{Further}} Assessment of a Polarization Model for Second-Order Calculation of Outer-Valence Ionization Potentials in Molecules},
Volume = {44},
Year = {1991},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.44.5773}}
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Journal = {Int. J. Quantum Chem.},
Number = {2},
Pages = {225--242},
Title = {Quasi-Particle Equation from the Configuration-Interaction ({{CI}}) Wave-Function Method},
Volume = {40},
Year = {1991},
Bdsk-Url-1 = {https://doi.org/10.1002/qua.560400206}}
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File = {/Users/loos/Zotero/storage/E7JYZIM2/Friedrich_2006.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = jul,
Number = {4},
Pages = {045104},
Title = {Elimination of the Linearization Error in {{{\emph{GW}}}} Calculations Based on the Linearized Augmented-Plane-Wave Method},
Volume = {74},
Year = {2006},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.74.045104}}
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Date-Added = {2018-03-03 16:36:07 +0000},
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Volume = {49},
Year = {1977}}
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Date-Added = {2018-03-03 16:36:07 +0000},
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Volume = {81},
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Date-Added = {2018-02-25 19:37:56 +0000},
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Bdsk-Url-1 = {https://dx.doi.org/10.1016/0009-2614(80)80396-4}}
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Date-Added = {2018-02-25 19:37:56 +0000},
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Pages = {556--560},
Title = {{{ImprovedSCF}} Convergence Acceleration},
Volume = {3},
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Bdsk-Url-1 = {https://dx.doi.org/10.1002/jcc.540030413}}
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Date-Modified = {2018-02-25 15:53:21 +0000},
Doi = {10.1088/1367-2630/16/11/113025},
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Journal = {New J. Phys.},
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Number = {11},
Pages = {113025},
Title = {Solution to the Many-Body Problem in One Point},
Volume = {16},
Year = {2014},
Bdsk-Url-1 = {https://dx.doi.org/10.1088/1367-2630/16/11/113025}}
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Author = {Casida, Mark E.},
Date-Added = {2018-02-24 22:54:58 +0000},
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Doi = {10.1103/PhysRevA.51.2005},
Issn = {1050-2947, 1094-1622},
Journal = {Phys. Rev. A},
Language = {en},
Month = mar,
Number = {3},
Pages = {2005--2013},
Shorttitle = {Generalization of the Optimized-Effective-Potential Model to Include Electron Correlation},
Title = {Generalization of the Optimized-Effective-Potential Model to Include Electron Correlation: {{A}} Variational Derivation of the {{Sham}}-{{Schl{\"u}ter}} Equation for the Exact Exchange-Correlation Potential},
Volume = {51},
Year = {1995},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevA.51.2005}}
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Author = {Holm, Bengt},
Date-Added = {2018-02-24 22:54:58 +0000},
Date-Modified = {2018-02-24 22:54:58 +0000},
Doi = {10.1103/PhysRevLett.83.788},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = jul,
Number = {4},
Pages = {788--791},
Title = {Total {{Energies}} from {{GW Calculations}}},
Volume = {83},
Year = {1999},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.83.788}}
@book{SzaboBook,
Address = {New York},
Author = {A. Szabo and N. S. Ostlund},
Date-Added = {2018-02-24 21:04:21 +0000},
Date-Modified = {2018-02-24 21:04:21 +0000},
Keywords = {qmech},
Publisher = {McGraw-Hill},
Title = {Modern quantum chemistry},
Year = {1989}}
@article{Faber_2011,
Author = {Faber, Carina and Attaccalite, Claudio and Olevano, V. and Runge, E. and Blase, X.},
Date-Added = {2018-02-24 20:47:47 +0000},
Date-Modified = {2018-04-14 07:19:37 +0000},
Doi = {10.1103/PhysRevB.83.115123},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = mar,
Number = {11},
Pages = {115123},
Title = {First-Principles {{GW}} Calculations for {{DNA}} and {{RNA}} Nucleobases},
Volume = {83},
Year = {2011},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.83.115123}}
@incollection{Hedin_1970,
Author = {Hedin, Lars and Lundqvist, Stig},
Booktitle = {Solid State Physics},
Date-Added = {2018-02-24 19:55:02 +0000},
Date-Modified = {2018-02-24 19:57:12 +0000},
Doi = {10.1016/S0081-1947(08)60615-3},
Isbn = {978-0-12-607723-0},
Language = {en},
Pages = {1--181},
Publisher = {Elsevier},
Title = {Effects of Electron-Electron and Electron-Phonon Interactions on the One-Electron States of Solids},
Volume = {23},
Year = {1970},
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Author = {Agboola, Davids and Knol, Anneke L. and Gill, Peter M. W. and Loos, Pierre-Fran{\c c}ois},
Date-Added = {2018-02-24 12:51:10 +0000},
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Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4929353}}
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Author = {Ambrosek, David and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Daniel, Chantal},
Date-Added = {2018-02-24 12:51:10 +0000},
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Title = {A Theoretical Study of {{Ru}}({{II}}) Polypyridyl {{DNA intercalatorsStructure}} and Electronic Absorption Spectroscopy of [{{Ru}}(Phen)2(Dppz)]2+ and [{{Ru}}(Tap)2(Dppz)]2+ Complexes Intercalated in Guanine\textendash{}cytosine Base Pairs},
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Year = {2010},
Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.jinorgbio.2010.04.002}}
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Author = {Ball, Caleb J. and Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
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File = {/Users/loos/Zotero/storage/7X5YE6WH/52.pdf},
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Journal = {Physical Chemistry Chemical Physics},
Language = {en},
Number = {5},
Pages = {3987--3998},
Title = {Molecular Electronic Structure in One-Dimensional {{Coulomb}} Systems},
Volume = {19},
Year = {2017},
Bdsk-Url-1 = {https://dx.doi.org/10.1039/C6CP06801D}}
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Author = {Barca, Giuseppe M. J. and Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1021/acs.jctc.6b00130},
File = {/Users/loos/Zotero/storage/JS793AVF/49.pdf},
Issn = {1549-9618, 1549-9626},
Journal = {Journal of Chemical Theory and Computation},
Language = {en},
Month = apr,
Number = {4},
Pages = {1735--1740},
Title = {Many-{{Electron Integrals}} over {{Gaussian Basis Functions}}. {{I}}. {{Recurrence Relations}} for {{Three}}-{{Electron Integrals}}},
Volume = {12},
Year = {2016},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.6b00130}}
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Author = {Barca, Giuseppe MJ and Loos, Pierre-Fran{\c c}ois},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
File = {/Users/loos/Zotero/storage/DCFUMHWZ/56.pdf},
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Pages = {024103},
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Title = {Three-and Four-Electron Integrals Involving {{Gaussian}} Geminals: {{Fundamental}} Integrals, Upper Bounds, and Recurrence Relations},
Volume = {147},
Year = {2017}}
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Author = {Barca, Giuseppe M.J. and Loos, Pierre-Fran{\c c}ois},
Booktitle = {Advances in {{Quantum Chemistry}}},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1016/bs.aiq.2017.03.004},
File = {/Users/loos/Zotero/storage/JQKXB9RU/58.pdf},
Isbn = {978-0-12-813002-5},
Language = {en},
Pages = {147--165},
Publisher = {{Elsevier}},
Title = {Recurrence {{Relations}} for {{Four}}-{{Electron Integrals Over Gaussian Basis Functions}}},
Volume = {76},
Year = {2018},
Bdsk-Url-1 = {https://dx.doi.org/10.1016/bs.aiq.2017.03.004}}
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Author = {Bernard, Yves A. and Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
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Language = {en},
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Number = {16-17},
Pages = {2414--2426},
Title = {Distribution of r {\textsubscript{12}} $\cdot$ p {\textsubscript{12}} in Quantum Systems},
Volume = {111},
Year = {2013},
Bdsk-Url-1 = {https://dx.doi.org/10.1080/00268976.2013.811302}}
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Date-Added = {2018-02-24 12:51:10 +0000},
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Author = {Dumont, {\'E}lise and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
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Author = {Dumont, Elise and Loos, Pierre-Fran{\c c}ois and Laurent, Ad{\`e}le D. and Assfeld, Xavier},
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Journal = {Journal of Chemical Theory and Computation},
Language = {en},
Month = aug,
Number = {8},
Pages = {1171--1173},
Title = {Huge {{Disulfide}}-{{Linkage}}'{{S Electron Capture Variation Induced}} by $\alpha$-{{Helix Orientation}}},
Volume = {4},
Year = {2008},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/ct800161m}}
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Author = {Dumont, {\'E}lise and Laurent, Ad{\`e}le D. and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
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Journal = {Journal of Chemical Theory and Computation},
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Number = {6},
Pages = {1700--1708},
Title = {Analyzing the {{Selectivity}} and {{Successiveness}} of a {{Two}}-{{Electron Capture}} on a {{Multiply Disulfide}}-{{Linked Protein}}},
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Year = {2009},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/ct900093h}}
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Author = {Dumont, {\~A}‰lise and Loos, Pierre-Fran{\~A}\textsection{}ois and Laurent, Ad{\~A}\textasciidieresis{}le D. and Assfeld, Xavier},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1002/qua.22072},
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Journal = {Int. J. Quantum Chem.},
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Title = {Electronic Effects and Ring Strain Influences on the Electron Uptake by Selenium-Containing Bonds},
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Bdsk-Url-1 = {https://dx.doi.org/10.1002/qua.22072}}
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Author = {Fornili, Arianna and Loos, Pierre-Fran{\c c}ois and Sironi, Maurizio and Assfeld, Xavier},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
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Journal = {Chem. Phys. Lett.},
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Title = {Frozen Core Orbitals as an Alternative to Specific Frontier Bond Potential in Hybrid {{Quantum Mechanics}}/{{Molecular Mechanics}} Methods},
Volume = {427},
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Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.cplett.2006.06.095}}
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Author = {Garniron, Yann and Scemama, Anthony and Loos, Pierre-Fran{\c c}ois and Caffarel, Michel},
Date-Added = {2018-02-24 12:51:10 +0000},
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Author = {Gill, Peter M. W. and Loos, Pierre-Fran{\c c}ois},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-04-14 07:30:52 +0000},
Doi = {10.1007/s00214-011-1069-7},
File = {/Users/loos/Zotero/storage/A85Y7E9B/32.pdf},
Issn = {1432-881X, 1432-2234},
Journal = {Theor. Chem. Acc.},
Language = {en},
Month = jan,
Number = {1},
Pages = {1069},
Title = {Uniform Electron Gases},
Volume = {131},
Year = {2012},
Bdsk-Url-1 = {https://dx.doi.org/10.1007/s00214-011-1069-7}}
@article{Gill_2014,
Author = {Gill, Peter M. W. and Loos, Pierre-Fran{\c c}ois and Agboola, Davids},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1063/1.4903984},
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Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = dec,
Number = {24},
Pages = {244102},
Title = {Basis Functions for Electronic Structure Calculations on Spheres},
Volume = {141},
Year = {2014},
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Author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1002/qua.21410},
File = {/Users/loos/Zotero/storage/64MPU2ZJ/8.pdf},
Issn = {00207608, 1097461X},
Journal = {Int. J. Quantum Chem.},
Language = {en},
Number = {12},
Pages = {2243--2252},
Title = {Core-Ionized and Core-Excited States of Macromolecules},
Volume = {107},
Year = {2007},
Bdsk-Url-1 = {https://dx.doi.org/10.1002/qua.21410}}
@article{Loos_2007a,
Author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Rivail, Jean-Louis},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1007/s00214-007-0258-x},
File = {/Users/loos/Zotero/storage/S6FBKP2M/5.pdf},
Issn = {1432-881X, 1432-2234},
Journal = {Theor. Chem. Acc.},
Language = {en},
Month = jun,
Number = {1},
Pages = {165--171},
Title = {Intramolecular Interactions and Cis Peptidic Bonds},
Volume = {118},
Year = {2007},
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@inproceedings{Loos_2007b,
Author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
Booktitle = {{{AIP Conference Proceedings}}},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
File = {/Users/loos/Zotero/storage/HGKGXAMT/10.pdf},
Pages = {308--315},
Publisher = {{AIP}},
Title = {On {{The Frontier Bond Location In The QM}}/{{MM Description Of Peptides And Proteins}}.},
Volume = {963},
Year = {2007}}
@article{Loos_2007c,
Author = {Loos, P.-F. and Fornili, A. and Sironi, M. and Assfeld, X.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
File = {/Users/loos/Zotero/storage/CAHLR8H8/9.pdf},
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Pages = {2--4},
Shorttitle = {Removing Extra Frontier Parameters in {{QM}}/{{MM}} Methods},
Title = {Removing Extra Frontier Parameters in {{QM}}/{{MM}} Methods: A Tentative with the {{Local Self}}-{{Consistent Field}} Approach},
Volume = {3},
Year = {2007}}
@article{Loos_2007d,
Author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1021/ct6003214},
File = {/Users/loos/Zotero/storage/A9TSDVGQ/6.pdf},
Issn = {1549-9618, 1549-9626},
Journal = {Journal of Chemical Theory and Computation},
Language = {en},
Month = may,
Number = {3},
Pages = {1047--1053},
Title = {Self-{{Consistent Strictly Localized Orbitals}}},
Volume = {3},
Year = {2007},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/ct6003214}}
@article{Loos_2008,
Author = {Loos, Pierre-Fran{\c c}ois and Preat, Julien and Laurent, Ad{\`e}le D. and Michaux, Catherine and Jacquemin, Denis and Perp{\`e}te, Eric A. and Assfeld, Xavier},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1021/ct700188w},
File = {/Users/loos/Zotero/storage/LSU72HGK/11.pdf},
Issn = {1549-9618, 1549-9626},
Journal = {Journal of Chemical Theory and Computation},
Language = {en},
Month = apr,
Number = {4},
Pages = {637--645},
Shorttitle = {Theoretical {{Investigation}} of the {{Geometries}} and {{UV}}-vis {{Spectra}} of {{Poly}}( $<$span Style="font-Variant},
Title = {Theoretical {{Investigation}} of the {{Geometries}} and {{UV}}-vis {{Spectra}} of {{Poly}}( {\textsc{l}} -Glutamic Acid) {{Featuring}} a {{Photochromic Azobenzene Side Chain}}},
Volume = {4},
Year = {2008},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/ct700188w}}
@article{Loos_2009,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1063/1.3275519},
File = {/Users/loos/Zotero/storage/E9MV4JCJ/19.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = dec,
Number = {24},
Pages = {241101},
Title = {Correlation Energy of Two Electrons in the High-Density Limit},
Volume = {131},
Year = {2009},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.3275519}}
@article{Loos_2009a,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-04-14 07:27:46 +0000},
Doi = {10.1103/PhysRevA.79.062517},
File = {/Users/loos/Zotero/storage/R9N5FN2F/17.pdf},
Issn = {1050-2947, 1094-1622},
Journal = {Phys. Rev. A},
Language = {en},
Month = jun,
Number = {6},
Pages = {062517},
Title = {Ground State of Two Electrons on a Sphere},
Volume = {79},
Year = {2009},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevA.79.062517}}
@article{Loos_2009b,
Author = {Loos, Pierre-Fran{\c c}ois and Dumont, Elise and Laurent, Ad{\`e}le D. and Assfeld, Xavier},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1016/j.cplett.2009.05.041},
File = {/Users/loos/Zotero/storage/QDEXZPUE/16.pdf},
Issn = {00092614},
Journal = {Chem. Phys. Lett.},
Language = {en},
Month = jun,
Number = {1-3},
Pages = {120--123},
Title = {Important Effects of Neighbouring Nucleotides on Electron Induced {{DNA}} Single-Strand Breaks},
Volume = {475},
Year = {2009},
Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.cplett.2009.05.041}}
@article{Loos_2009c,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-04-14 07:27:56 +0000},
Doi = {10.1103/PhysRevLett.103.123008},
File = {/Users/loos/Zotero/storage/GRFHDW5F/18.pdf},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = sep,
Number = {12},
Pages = {123008},
Shorttitle = {Two {{Electrons}} on a {{Hypersphere}}},
Title = {Two {{Electrons}} on a {{Hypersphere}}: {{A Quasiexactly Solvable Model}}},
Volume = {103},
Year = {2009},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.103.123008}}
@article{Loos_2010,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1016/j.cplett.2010.09.019},
File = {/Users/loos/Zotero/storage/DJKJNV2H/27.pdf},
Issn = {00092614},
Journal = {Chem. Phys. Lett.},
Language = {en},
Month = nov,
Number = {1-3},
Pages = {1--8},
Shorttitle = {A Tale of Two Electrons},
Title = {A Tale of Two Electrons: {{Correlation}} at High Density},
Volume = {500},
Year = {2010},
Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.cplett.2010.09.019}}
@article{Loos_2010a,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1063/1.3455706},
File = {/Users/loos/Zotero/storage/QWSE9HHH/24.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = jun,
Number = {23},
Pages = {234111},
Title = {Correlation Energy of Two Electrons in a Ball},
Volume = {132},
Year = {2010},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.3455706}}
@article{Loos_2010b,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-04-14 07:28:06 +0000},
Doi = {10.1103/PhysRevA.81.052510},
File = {/Users/loos/Zotero/storage/3MZKVWT9/23.pdf},
Issn = {1050-2947, 1094-1622},
Journal = {Phys. Rev. A},
Language = {en},
Month = may,
Number = {5},
Pages = {052510},
Title = {Ground State of Two Electrons on Concentric Spheres},
Volume = {81},
Year = {2010},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevA.81.052510}}
@article{Loos_2010c,
Author = {Loos, Pierre-Fran{\c c}ois},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-04-14 07:28:12 +0000},
Doi = {10.1103/PhysRevA.81.032510},
File = {/Users/loos/Zotero/storage/KJEJ5D77/21.pdf},
Issn = {1050-2947, 1094-1622},
Journal = {Phys. Rev. A},
Language = {en},
Month = mar,
Number = {3},
Pages = {032510},
Title = {Hooke's Law Correlation in Two-Electron Systems},
Volume = {81},
Year = {2010},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevA.81.032510}}
@article{Loos_2010d,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-04-14 07:28:17 +0000},
Doi = {10.1103/PhysRevLett.105.113001},
File = {/Users/loos/Zotero/storage/I2UH4CU5/26.pdf},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = sep,
Number = {11},
Pages = {113001},
Title = {Invariance of the {{Correlation Energy}} at {{High Density}} and {{Large Dimension}} in {{Two}}-{{Electron Systems}}},
Volume = {105},
Year = {2010},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.105.113001}}
@article{Loos_2011,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-04-14 07:28:25 +0000},
Doi = {10.1103/PhysRevB.84.033103},
File = {/Users/loos/Zotero/storage/NK4SJ24B/29.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = jul,
Number = {3},
Pages = {033103},
Title = {Correlation Energy of the Spin-Polarized Uniform Electron Gas at High Density},
Volume = {84},
Year = {2011},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.84.033103}}
@article{Loos_2011a,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-04-14 07:28:30 +0000},
Doi = {10.1103/PhysRevB.83.233102},
File = {/Users/loos/Zotero/storage/2QNIQXM5/28.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = jun,
Number = {23},
Pages = {233102},
Title = {Exact Energy of the Spin-Polarized Two-Dimensional Electron Gas at High Density},
Volume = {83},
Year = {2011},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.83.233102}}
@article{Loos_2011b,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1063/1.3665393},
File = {/Users/loos/Zotero/storage/R8SHV7JI/31.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = dec,
Number = {21},
Pages = {214111},
Shorttitle = {Thinking Outside the Box},
Title = {Thinking Outside the Box: {{The}} Uniform Electron Gas on a Hypersphere},
Volume = {135},
Year = {2011},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.3665393}}
@article{Loos_2012,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-04-14 07:28:37 +0000},
Doi = {10.1103/PhysRevLett.108.083002},
File = {/Users/loos/Zotero/storage/D5YVLEB5/34.pdf},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = feb,
Number = {8},
Pages = {083002},
Title = {Exact {{Wave Functions}} of {{Two}}-{{Electron Quantum Rings}}},
Volume = {108},
Year = {2012},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.108.083002}}
@article{Loos_2012a,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1080/00268976.2012.679634},
File = {/Users/loos/Zotero/storage/H82N8B89/35.pdf},
Issn = {0026-8976, 1362-3028},
Journal = {Mol. Phys.},
Language = {en},
Month = oct,
Number = {19-20},
Pages = {2337--2342},
Title = {Harmonically Trapped Jellium},
Volume = {110},
Year = {2012},
Bdsk-Url-1 = {https://dx.doi.org/10.1080/00268976.2012.679634}}
@article{Loos_2012b,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1002/qua.23155},
File = {/Users/loos/Zotero/storage/PMVR53GF/33.pdf},
Issn = {00207608},
Journal = {Int. J. Quantum Chem.},
Language = {en},
Month = mar,
Number = {6},
Pages = {1712--1716},
Title = {Leading-Order Behavior of the Correlation Energy in the Uniform Electron Gas},
Volume = {112},
Year = {2012},
Bdsk-Url-1 = {https://dx.doi.org/10.1002/qua.23155}}
@article{Loos_2012c,
Author = {Loos, Pierre-Fran{\c c}ois},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1016/j.physleta.2012.05.010},
File = {/Users/loos/Zotero/storage/JUPS4RAD/36.pdf},
Issn = {03759601},
Journal = {Physics Letters A},
Language = {en},
Month = may,
Number = {26-27},
Pages = {1997--2000},
Title = {Understanding Excitons Using Spherical Geometry},
Volume = {376},
Year = {2012},
Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.physleta.2012.05.010}}
@article{Loos_2013,
Author = {Loos, Pierre-Fran{\c c}ois},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1063/1.4790613},
File = {/Users/loos/Zotero/storage/47LGX76U/37.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = feb,
Number = {6},
Pages = {064108},
Title = {High-Density Correlation Energy Expansion of the One-Dimensional Uniform Electron Gas},
Volume = {138},
Year = {2013},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4790613}}
@article{Loos_2013a,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1063/1.4802589},
File = {/Users/loos/Zotero/storage/5Q2YJGTX/38.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = apr,
Number = {16},
Pages = {164124},
Title = {Uniform Electron Gases. {{I}}. {{Electrons}} on a Ring},
Volume = {138},
Year = {2013},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4802589}}
@article{Loos_2014,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1016/j.physleta.2013.11.045},
File = {/Users/loos/Zotero/storage/BRNDKC4F/40.pdf},
Issn = {03759601},
Journal = {Physics Letters A},
Language = {en},
Month = jan,
Number = {4},
Pages = {329--333},
Title = {Exact Wave Functions for Concentric Two-Electron Systems},
Volume = {378},
Year = {2014},
Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.physleta.2013.11.045}}
@article{Loos_2014a,
Author = {Loos, Pierre-Fran{\c c}ois},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-04-14 07:28:50 +0000},
Doi = {10.1103/PhysRevA.89.052523},
File = {/Users/loos/Zotero/storage/E8XZBSLG/42.pdf},
Issn = {1050-2947, 1094-1622},
Journal = {Phys. Rev. A},
Language = {en},
Month = may,
Number = {5},
Pages = {052523},
Title = {Generalized Local-Density Approximation and One-Dimensional Finite Uniform Electron Gases},
Volume = {89},
Year = {2014},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevA.89.052523}}
@article{Loos_2014b,
Author = {Loos, Pierre-Fran{\c c}ois and Ball, Caleb J. and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1063/1.4867910},
File = {/Users/loos/Zotero/storage/QD667QG2/41.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = may,
Number = {18},
Pages = {18A524},
Title = {Uniform Electron Gases. {{II}}. {{The}} Generalized Local Density Approximation in One Dimension},
Volume = {140},
Year = {2014},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4867910}}
@article{Loos_2015,
Author = {Loos, Pierre-Fran{\c c}ois and Ball, Caleb J. and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1039/C4CP03571B},
File = {/Users/loos/Zotero/storage/4JXMCN8L/44.pdf},
Issn = {1463-9076, 1463-9084},
Journal = {Physical Chemistry Chemical Physics},
Language = {en},
Number = {5},
Pages = {3196--3206},
Title = {Chemistry in One Dimension},
Volume = {17},
Year = {2015},
Bdsk-Url-1 = {https://dx.doi.org/10.1039/C4CP03571B}}
@article{Loos_2015a,
Author = {Loos, Pierre-Fran{\c c}ois and Bloomfield, Nathaniel J. and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1063/1.4935374},
File = {/Users/loos/Zotero/storage/HEH82IUH/47.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = nov,
Number = {18},
Pages = {181101},
Shorttitle = {Communication},
Title = {Communication: {{Three}}-Electron Coalescence Points in Two and Three Dimensions},
Volume = {143},
Year = {2015},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4935374}}
@article{Loos_2015b,
Author = {Loos, Pierre-Fran{\c c}ois and Bressanini, Dario},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1063/1.4922159},
File = {/Users/loos/Zotero/storage/UBTEMR7G/45.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = jun,
Number = {21},
Pages = {214112},
Title = {Nodal Surfaces and Interdimensional Degeneracies},
Volume = {142},
Year = {2015},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4922159}}
@article{Loos_2016,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1002/wcms.1257},
File = {/Users/loos/Zotero/storage/HEXYAMEN/50.pdf},
Issn = {17590876},
Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
Language = {en},
Month = jul,
Number = {4},
Pages = {410--429},
Shorttitle = {The Uniform Electron Gas},
Title = {The Uniform Electron Gas: {{The}} Uniform Electron Gas},
Volume = {6},
Year = {2016},
Bdsk-Url-1 = {https://dx.doi.org/10.1002/wcms.1257}}
@article{Loos_2017,
Author = {Loos, Pierre-Fran{\c c}ois and Rivail, Jean-Louis and Assfeld, Xavier},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1007/s00894-017-3347-3},
File = {/Users/loos/Zotero/storage/BFLICA2H/55.pdf},
Issn = {1610-2940, 0948-5023},
Journal = {Journal of Molecular Modeling},
Language = {en},
Month = jun,
Number = {6},
Title = {Iterative Stochastic Subspace Self-Consistent Field Method},
Volume = {23},
Year = {2017},
Bdsk-Url-1 = {https://dx.doi.org/10.1007/s00894-017-3347-3}}
@article{Moreau_2004,
Author = {Moreau, Y. and Loos, P.-F. and Assfeld, X.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1007/s00214-004-0581-4},
File = {/Users/loos/Zotero/storage/I2GBGPYP/1.pdf},
Issn = {1432-881X, 1432-2234},
Journal = {Theor. Chem. Acc.},
Language = {en},
Month = sep,
Number = {4},
Shorttitle = {Solvent Effects on the Asymmetric {{Diels}}?},
Title = {Solvent Effects on the Asymmetric {{Diels}}?{{Alder}} Reaction between Cyclopentadiene and (?)-Menthyl Acrylate Revisited with the Three-Layer Hybrid Local Self-Consistent Field/Molecular Mechanics/Self-Consistent Reaction Field Method},
Volume = {112},
Year = {2004},
Bdsk-Url-1 = {https://dx.doi.org/10.1007/s00214-004-0581-4}}
@article{Preat_2007,
Author = {Preat, Julien and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Jacquemin, Denis and Perp{\`e}te, Eric A.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1016/j.theochem.2006.12.047},
File = {/Users/loos/Zotero/storage/4BZSHB49/7.pdf},
Issn = {01661280},
Journal = {Journal of Molecular Structure: THEOCHEM},
Language = {en},
Month = apr,
Number = {1-3},
Pages = {85--91},
Shorttitle = {A {{TD}}-{{DFT}} Investigation of {{UV}} Spectra of Pyrano{\"\i}dic Dyes},
Title = {A {{TD}}-{{DFT}} Investigation of {{UV}} Spectra of Pyrano{\"\i}dic Dyes: {{A NCM}} vs {{PCM}} Comparison},
Volume = {808},
Year = {2007},
Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.theochem.2006.12.047}}
@article{Preat_2007a,
Author = {Preat, Julien and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Jacquemin, Denis and Perp{\`e}te, Eric A.},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1002/qua.21182},
File = {/Users/loos/Zotero/storage/D5F3ED8Z/4.pdf},
Issn = {00207608, 1097461X},
Journal = {Int. J. Quantum Chem.},
Language = {en},
Number = {3},
Pages = {574--585},
Shorttitle = {{{DFT}} and {{TD}}-{{DFT}} Investigation of {{IR}} and {{UV}} Spectra of Solvated Molecules},
Title = {{{DFT}} and {{TD}}-{{DFT}} Investigation of {{IR}} and {{UV}} Spectra of Solvated Molecules: {{Comparison}} of Two {{SCRF}} Continuum Models},
Volume = {107},
Year = {2007},
Bdsk-Url-1 = {https://dx.doi.org/10.1002/qua.21182}}
@inproceedings{Rivail_2006,
Author = {Rivail, J. L. and Bouchy, A. and Loos, P. F.},
Booktitle = {Anales de La {{Asociaci{\'o}n Qu{\'\i}mica Argentina}}},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
File = {/Users/loos/Zotero/storage/XGMNTL9R/3.pdf},
Pages = {19--26},
Publisher = {{SciELO Argentina}},
Title = {Electronic Factors Favouring the Cis Conformation in Proline Peptidic Bonds},
Volume = {94},
Year = {2006}}
@article{Rogers_2016,
Author = {Rogers, Fergus J. M. and Ball, Caleb J. and Loos, Pierre-Fran{\c c}ois},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
Doi = {10.1103/PhysRevB.93.235114},
File = {/Users/loos/Zotero/storage/PD5I8W55/51.pdf},
Issn = {2469-9950, 2469-9969},
Journal = {Phys. Rev. B},
Language = {en},
Month = jun,
Number = {23},
Title = {Symmetry-Broken Local-Density Approximation for One-Dimensional Systems},
Volume = {93},
Year = {2016},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.93.235114}}
@article{Rogers_2017,
Author = {Rogers, Fergus JM and Loos, Pierre-Fran{\c c}ois},
Date-Added = {2018-02-24 12:51:10 +0000},
Date-Modified = {2018-02-24 12:51:10 +0000},
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Author = {Caruso, Fabio},
File = {/Users/loos/Zotero/storage/I5Q6ZQCS/Caruso_PhD.pdf},
School = {Freie Universit{\"a}t Berlin},
Title = {Self-Consistent {{GW}} Approach for the Unified Description of Ground and Excited States of Finite Systems},
Type = {{{PhD Thesis}}},
Year = {2013}}
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Language = {en},
Pages = {267--298},
Publisher = {Elsevier},
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School = {University Library Groningen][Host]},
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Type = {{{PhD Thesis}}},
Year = {2005}}
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Title = {Electronic, Excitonic and Polaronic Properties of Organic Systems within the Many-Body {{GW}} and {{Bethe}}-{{Salpeter}} Formalisms: Towards Organic Photovoltaics},
Type = {{{PhD Thesis}}},
Year = {2014}}
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Note = {OCLC: 247716792},
Publisher = {{Imperial College Press}},
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Year = {1999}}
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Doi = {10.1103/PhysRevB.92.081104},
File = {/Users/loos/Zotero/storage/DK4SKK42/Ren_2015.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = aug,
Number = {8},
Pages = {081104},
Shorttitle = {Beyond the {{G W}} Approximation},
Title = {Beyond the {{G W}} Approximation: {{A}} Second-Order Screened Exchange Correction},
Volume = {92},
Year = {2015},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.92.081104}}
@article{Neuhauser_2014,
Author = {Neuhauser, Daniel and Gao, Yi and Arntsen, Christopher and Karshenas, Cyrus and Rabani, Eran and Baer, Roi},
Doi = {10.1103/PhysRevLett.113.076402},
File = {/Users/loos/Zotero/storage/BQNS7ZC3/Neuhauser_2014.pdf},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = aug,
Number = {7},
Shorttitle = {Breaking the {{Theoretical Scaling Limit}} for {{Predicting Quasiparticle Energies}}},
Title = {Breaking the {{Theoretical Scaling Limit}} for {{Predicting Quasiparticle Energies}}: {{The Stochastic G W Approach}}},
Volume = {113},
Year = {2014},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.113.076402}}
@article{Neuhauser_2017,
Author = {Neuhauser, Daniel and Baer, Roi and Zgid, Dominika},
Doi = {10.1021/acs.jctc.7b00792},
File = {/Users/loos/Zotero/storage/JAB74MSA/Neuhauser_2017.pdf},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = nov,
Number = {11},
Pages = {5396--5403},
Title = {Stochastic {{Self}}-{{Consistent Second}}-{{Order Green}}'s {{Function Method}} for {{Correlation Energies}} of {{Large Electronic Systems}}},
Volume = {13},
Year = {2017},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.7b00792}}
@article{Ortiz_2013,
Author = {Ortiz, Joseph Vincent},
Doi = {10.1002/wcms.1116},
File = {/Users/loos/Zotero/storage/46YWTF9F/Ortiz_2013.pdf},
Issn = {17590876},
Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
Language = {en},
Month = mar,
Number = {2},
Pages = {123--142},
Shorttitle = {Electron Propagator Theory},
Title = {Electron Propagator Theory: An Approach to Prediction and Interpretation in Quantum Chemistry: {{Electron}} Propagator Theory},
Volume = {3},
Year = {2013},
Bdsk-Url-1 = {https://dx.doi.org/10.1002/wcms.1116}}
@article{Pavlyukh_2016,
Author = {Pavlyukh, Y. and Uimonen, A.-M. and Stefanucci, G. and {van Leeuwen}, R.},
Doi = {10.1103/PhysRevLett.117.206402},
File = {/Users/loos/Zotero/storage/CB7B27J4/Pavlyukh_2006.pdf},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = nov,
Number = {20},
Title = {Vertex {{Corrections}} for {{Positive}}-{{Definite Spectral Functions}} of {{Simple Metals}}},
Volume = {117},
Year = {2016},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.117.206402}}
@article{Pavosevic_2017,
Author = {Pavo{\v s}evi{\'c}, Fabijan and Peng, Chong and Ortiz, J. V. and Valeev, Edward F.},
Doi = {10.1063/1.5000916},
File = {/Users/loos/Zotero/storage/CPREHP25/Pavosevic_2017.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = sep,
Number = {12},
Pages = {121101},
Shorttitle = {Communication},
Title = {Communication: {{Explicitly}} Correlated Formalism for Second-Order Single-Particle {{Green}}'s Function},
Volume = {147},
Year = {2017},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.5000916}}
@article{Peng_2013,
Author = {Peng, Degao and Steinmann, Stephan N. and {van Aggelen}, Helen and Yang, Weitao},
Doi = {10.1063/1.4820556},
File = {/Users/loos/Zotero/storage/2PKBAZ2I/Peng_2013.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = sep,
Number = {10},
Pages = {104112},
Title = {Equivalence of Particle-Particle Random Phase Approximation Correlation Energy and Ladder-Coupled-Cluster Doubles},
Volume = {139},
Year = {2013},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4820556}}
@article{Stan_2015,
Author = {Adrian Stan and Pina Romaniello and Santiago Rigamonti and Lucia Reining and J A Berger},
Date-Modified = {2018-07-05 09:39:07 +0000},
Doi = {10.1088/1367-2630/17/9/093045},
Journal = {New J. Phys.},
Number = {9},
Pages = {093045},
Title = {Unphysical and physical solutions in many-body theories: from weak to strong correlation},
Volume = {17},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1088/1367-2630/17/9/093045}}
@article{Tarantino_2018,
Author = {Walter Tarantino and Bernardo S Mendoza and Pina Romaniello and J A Berger and Lucia Reining},
Journal = {J. Phys.: Condensed Matter},
Number = {13},
Pages = {135602},
Title = {Many-body perturbation theory and non-perturbative approaches: screened interaction as the key ingredient},
Volume = {30},
Year = {2018}}
@article{Romaniello_2009_JCP,
Author = {Romaniello,P. and Sangalli,D. and Berger,J. A. and Sottile,F. and Molinari,L. G. and Reining,L. and Onida,G.},
Doi = {10.1063/1.3065669},
Journal = {J. Chem. Phys.},
Number = {4},
Pages = {044108},
Title = {Double excitations in finite systems},
Volume = {130},
Year = {2009},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3065669}}
@article{Kozik_2014,
Author = {Kozik, Evgeny and Ferrero, Michel and Georges, Antoine},
Doi = {10.1103/PhysRevLett.114.156402},
Issue = {15},
Journal = {Phys. Rev. Lett.},
Month = {Apr},
Numpages = {5},
Pages = {156402},
Publisher = {American Physical Society},
Title = {Nonexistence of the Luttinger-Ward Functional and Misleading Convergence of Skeleton Diagrammatic Series for Hubbard-Like Models},
Volume = {114},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.114.156402}}
@article{Schaefer_2013,
Author = {Sch\"afer, T. and Rohringer, G. and Gunnarsson, O. and Ciuchi, S. and Sangiovanni, G. and Toschi, A.},
Doi = {10.1103/PhysRevLett.110.246405},
Issue = {24},
Journal = {Phys. Rev. Lett.},
Month = {Jun},
Numpages = {5},
Pages = {246405},
Publisher = {American Physical Society},
Title = {Divergent Precursors of the Mott-Hubbard Transition at the Two-Particle Level},
Volume = {110},
Year = {2013},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.110.246405}}
@article{Schaefer_2016,
Author = {Sch\"afer, T. and Ciuchi, S. and Wallerberger, M. and Thunstr\"om, P. and Gunnarsson, O. and Sangiovanni, G. and Rohringer, G. and Toschi, A.},
Doi = {10.1103/PhysRevB.94.235108},
Issue = {23},
Journal = {Phys. Rev. B},
Month = {Dec},
Numpages = {25},
Pages = {235108},
Publisher = {American Physical Society},
Title = {Nonperturbative landscape of the Mott-Hubbard transition: Multiple divergence lines around the critical endpoint},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.94.235108},
Volume = {94},
Year = {2016},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.94.235108},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.94.235108}}
@article{Rossi_2015,
Abstract = {Recently, Kozik, Ferrero and Georges discovered numerically that for a family of fundamental models of interacting fermions, the self-energy ##IMG## [http://ej.iop.org/images/1751-8121/48/48/485202/jpaaa05f8ieqn1.gif] {${\rm{\Sigma }}[G]$} is a multi-valued functional of the fully dressed single-particle propagator G , and that the skeleton diagrammatic series ##IMG## [http://ej.iop.org/images/1751-8121/48/48/485202/jpaaa05f8ieqn2.gif] {${{\rm{\Sigma }}}_{{\rm{bold}}}[G]$} converges to the wrong branch above a critical interaction strength. We consider the zero space-time dimensional case, where the same mathematical phenomena appear from elementary algebra. We also find a similar phenomenology for the fully bold formalism built on the fully dressed single-particle propagator and pair propagator.},
Author = {Riccardo Rossi and F{\'e}lix Werner},
Date-Modified = {2018-07-18 13:15:08 +0000},
Journal = {J. Phys. A: Math. Theor.},
Number = {48},
Pages = {485202},
Title = {Skeleton series and multivaluedness of the self-energy functional in zero space-time dimensions},
Url = {http://stacks.iop.org/1751-8121/48/i=48/a=485202},
Volume = {48},
Year = {2015},
Bdsk-Url-1 = {http://stacks.iop.org/1751-8121/48/i=48/a=485202}}
@article{Gunnarsson_2017,
Author = {Gunnarsson, O. and Rohringer, G. and Sch\"afer, T. and Sangiovanni, G. and Toschi, A.},
Doi = {10.1103/PhysRevLett.119.056402},
Issue = {5},
Journal = {Phys. Rev. Lett.},
Month = {Aug},
Numpages = {5},
Pages = {056402},
Publisher = {American Physical Society},
Title = {Breakdown of Traditional Many-Body Theories for Correlated Electrons},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.119.056402},
Volume = {119},
Year = {2017},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.119.056402},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.119.056402}}
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