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%% Created for Pierre-Francois Loos at 2020-04-17 20:05:26 +0200
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@article{Gatti_2007,
Author = {M. Gatti and V. Olevano and L. Reining,and I. V. Tokatly},
Date-Added = {2020-04-17 10:10:16 +0200},
Date-Modified = {2020-04-17 10:11:34 +0200},
Doi = {10.1103/PhysRevLett.99.057401},
Journal = {Phys. Rev. Lett.},
Pages = {057401},
Title = {Transforming Nonlocality into a Frequency Dependence: A Shortcut to Spectroscopy},
Volume = {99},
Year = {2007},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.99.057401}}
@article{Sangalli_2011,
Author = {Sangalli, Davide and Romaniello, Pina and Onida, Giovanni and Marini, Andrea},
Date-Added = {2020-04-17 10:04:29 +0200},
Date-Modified = {2020-04-17 10:04:29 +0200},
Doi = {10.1063/1.3518705},
File = {/Users/loos/Zotero/storage/9S3XW2FJ/Sangalli et al. - 2011 - Double excitations in correlated systems A many--b.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = jan,
Number = {3},
Pages = {034115},
Shorttitle = {Double Excitations in Correlated Systems},
Title = {Double Excitations in Correlated Systems: {{A}} Many\textendash{}Body Approach},
Volume = {134},
Year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3518705}}
@article{Dreuw_2015,
Author = {Dreuw, Andreas and Wormit, Michael},
Date-Added = {2020-04-16 22:30:10 +0200},
Date-Modified = {2020-04-16 22:30:10 +0200},
Doi = {10.1002/wcms.1206},
File = {/Users/loos/Zotero/storage/ZGBF293U/Dreuw_2015.pdf},
Issn = {17590876},
Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
Language = {en},
Month = jan,
Number = {1},
Pages = {82--95},
Title = {The Algebraic Diagrammatic Construction Scheme for the Polarization Propagator for the Calculation of Excited States},
Volume = {5},
Year = {2015},
Bdsk-Url-1 = {https://dx.doi.org/10.1002/wcms.1206}}
@article{Reining_2017,
Author = {Reining, Lucia},
Date-Added = {2020-04-16 22:29:34 +0200},
Date-Modified = {2020-04-16 22:29:34 +0200},
Doi = {10.1002/wcms.1344},
File = {/Users/loos/Zotero/storage/VDXYCLGF/Reining_2017.pdf},
Issn = {17590876},
Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
Language = {en},
Month = dec,
Pages = {e1344},
Shorttitle = {The {{GW}} Approximation},
Title = {The {{GW}} Approximation: Content, Successes and Limitations: {{The GW}} Approximation},
Year = {2017},
Bdsk-Url-1 = {https://dx.doi.org/10.1002/wcms.1344}}
@article{Aryasetiawan_1998,
Author = {F. Aryasetiawan and O. Gunnarsson},
Date-Added = {2020-04-16 22:29:07 +0200},
Date-Modified = {2020-04-16 22:29:07 +0200},
Doi = {10.1088/0034-4885/61/3/002},
Journal = {Rep. Prog. Phys.},
Pages = {237--312},
Title = {The GW Method},
Volume = {61},
Year = {1998},
Bdsk-Url-1 = {https://doi.org/10.1088/0034-4885/61/3/002}}
@article{vanderHorst_1999,
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Date-Added = {2020-04-16 22:26:21 +0200},
Date-Modified = {2020-04-16 22:26:21 +0200},
Doi = {10.1103/PhysRevLett.83.4413},
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Journal = {Phys. Rev. Lett.},
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Publisher = {American Physical Society},
Title = {Ab Initio Calculation of the Electronic and Optical Excitations in Polythiophene: Effects of Intra- and Interchain Screening},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.4413},
Volume = {83},
Year = {1999},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.83.4413},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.83.4413}}
@article{Albrecht_1998,
Author = {Albrecht, Stefan and Reining, Lucia and Del Sole, Rodolfo and Onida, Giovanni},
Date-Added = {2020-04-16 22:25:42 +0200},
Date-Modified = {2020-04-16 22:25:42 +0200},
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Volume = {80},
Year = {1998},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.80.4510},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.80.4510}}
@article{Strinati_1982,
Author = {G. Strinati},
Date-Added = {2020-04-16 22:25:20 +0200},
Date-Modified = {2020-04-16 22:25:20 +0200},
Doi = {10.1103/PhysRevLett.49.1519},
Journal = {Phys. Rev. Lett.},
Pages = {1519},
Title = {Dynamical Shift and Broadening of Core Excitons in Semiconductors},
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Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.49.1519}}
@article{Strinati_1984,
Author = {G. Strinati},
Date-Added = {2020-04-16 22:25:20 +0200},
Date-Modified = {2020-04-16 22:25:20 +0200},
Doi = {10.1103/PhysRevB.29.5718},
Journal = {Phys. Rev. B},
Pages = {5718},
Title = {Effects of Dynamical Screening on Resonances at Inner-Shell Thresholds in Semiconductors},
Volume = {29},
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Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.29.5718}}
@article{Strinati_1988,
Author = {Strinati, G.},
Date-Added = {2020-04-16 22:25:20 +0200},
Date-Modified = {2020-04-16 22:25:20 +0200},
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},
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Bdsk-Url-1 = {https://dx.doi.org/10.1007/BF02725962}}
@article{Jacquemin_2015a,
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Date-Added = {2020-04-16 20:53:30 +0200},
Date-Modified = {2020-04-16 20:53:32 +0200},
Doi = {10.1021/acs.jctc.5b00304},
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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}}
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Author = {Hedin, Lars},
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Pages = {A796--A823},
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Title = {New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem},
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Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRev.139.A796},
Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRev.139.A796}}
@book{Farid_1999,
Author = {Behnam Farid},
Editor = {N.H. March},
Publisher = {Imperial College Press, London},
Title = {Electron Correlation in the Solid State - Chapter 3},
Year = {1999}}
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Month = {Jul},
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Title = {Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities},
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Numpages = {0},
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Volume = {51},
Year = {1983},
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Pages = {5390--5413},
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Title = {Electron Correlation in Semiconductors and Insulators: Band Gaps and Quasiparticle Energies},
Url = {http://link.aps.org/doi/10.1103/PhysRevB.34.5390},
Volume = {34},
Year = {1986},
Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.34.5390},
Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.34.5390}}
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Title = {Self-Energy Operators and Exchange-Correlation Potentials in Semiconductors},
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Volume = {37},
Year = {1988},
Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.37.10159},
Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.37.10159}}
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Pages = {8351--8362},
Publisher = {American Physical Society},
Title = {Precise Quasiparticle Energies and Hartree-Fock Bands of Semiconductors and Insulators},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.37.8351},
Volume = {37},
Year = {1988},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.37.8351},
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Title = {{The GW method}},
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Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.51.6868},
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Title = {Efficient Scheme for GW Quasiparticle Band-Structure Calculations with Aapplications to Bulk Si and to the Si(001)-(2\ifmmode\times\else\texttimes\fi{}1) Surface},
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@book{ReiningBook,
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Isbn = {0521871506},
Publisher = {Cambridge University Press},
Title = {Interacting Electrons: Theory and Computational Approaches},
Year = {2016}}
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Pages = {377},
Title = {The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy},
Url = {https://www.frontiersin.org/article/10.3389/fchem.2019.00377},
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Bdsk-Url-1 = {https://www.frontiersin.org/article/10.3389/fchem.2019.00377},
Bdsk-Url-2 = {https://doi.org/10.3389/fchem.2019.00377}}
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Author = {Albrecht, Stefan and Onida, Giovanni and Reining, Lucia},
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Publisher = {American Physical Society},
Title = {Ab initio Calculation of the Quasiparticle Spectrum and Excitonic Effects in ${\mathrm{Li}}_{2}$O},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.55.10278},
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Year = {1998},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.80.4514},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.80.4514}}
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Publisher = {American Physical Society},
Title = {Excitons and Optical Spectrum of the $\mathrm{Si}(111)\ensuremath{-}(2\ifmmode\times\else\texttimes\fi{}1)$ Surface},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.856},
Volume = {83},
Year = {1999},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.83.856},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.83.856}}
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Author = {Rohlfing, Michael and Louie, Steven G.},
Doi = {10.1103/PhysRevB.62.4927},
Issue = {8},
Journal = {Phys. Rev. B},
Month = {Aug},
Numpages = {0},
Pages = {4927--4944},
Publisher = {American Physical Society},
Title = {Electron-hole excitations and optical spectra from first principles},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.62.4927},
Volume = {62},
Year = {2000},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.62.4927},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.62.4927}}
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Author = {Delerue, C. and Lannoo, M. and Allan, G.},
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Issue = {11},
Journal = {Phys. Rev. Lett.},
Month = {Mar},
Numpages = {0},
Pages = {2457--2460},
Publisher = {American Physical Society},
Title = {Excitonic and Quasiparticle Gaps in Si Nanocrystals},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.84.2457},
Volume = {84},
Year = {2000},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.84.2457},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.84.2457}}
@article{Ren_2012,
Author = {Xinguo Ren and Patrick Rinke and Volker Blum and J{\"u}rgen Wieferink and Alexandre Tkatchenko and Andrea Sanfilippo and Karsten Reuter and Matthias Scheffler},
Doi = {10.1088/1367-2630/14/5/053020},
Journal = {New J. Phys.},
Month = {may},
Number = {5},
Pages = {053020},
Publisher = {{IOP} Publishing},
Title = {Resolution-of-identity approach to Hartree{\textendash}Fock, hybrid density functionals, {RPA}, {MP}2 {andGWwith} numeric atom-centered orbital basis functions},
Url = {https://doi.org/10.1088%2F1367-2630%2F14%2F5%2F053020},
Volume = {14},
Year = 2012,
Bdsk-Url-1 = {https://doi.org/10.1088%2F1367-2630%2F14%2F5%2F053020},
Bdsk-Url-2 = {https://doi.org/10.1088/1367-2630/14/5/053020}}
@article{Ping_2013,
Abstract = {We describe state of the art methods for the calculation of electronic excitations in solids and molecules{,} based on many body perturbation theory{,} and we discuss some applications of these methods to the study of band edges and absorption processes in representative materials used as photoelectrodes for water splitting.},
Author = {Ping, Yuan and Rocca, Dario and Galli, Giulia},
Doi = {10.1039/C3CS00007A},
Issue = {6},
Journal = {Chem. Soc. Rev.},
Pages = {2437-2469},
Publisher = {The Royal Society of Chemistry},
Title = {Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory},
Url = {http://dx.doi.org/10.1039/C3CS00007A},
Volume = {42},
Year = {2013},
Bdsk-Url-1 = {http://dx.doi.org/10.1039/C3CS00007A}}
@article{Leng_2016,
Author = {Leng, Xia and Jin, Fan and Wei, Min and Ma, Yuchen},
Doi = {10.1002/wcms.1265},
Eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1265},
Journal = {WIREs Computational Molecular Science},
Number = {5},
Pages = {532-550},
Title = {GW method and Bethe--Salpeter equation for calculating electronic excitations},
Url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.1265},
Volume = {6},
Year = {2016},
Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.1265},
Bdsk-Url-2 = {https://doi.org/10.1002/wcms.1265}}
@article{Blase_2018,
Author = {Blase, Xavier and Duchemin, Ivan and Jacquemin, Denis},
Doi = {10.1039/C7CS00049A},
Issue = {3},
Journal = {Chem. Soc. Rev.},
Pages = {1022-1043},
Publisher = {The Royal Society of Chemistry},
Title = {The Bethe--Salpeter equation in chemistry: relations with TD-DFT{,} applications and challenges},
Url = {http://dx.doi.org/10.1039/C7CS00049A},
Volume = {47},
Year = {2018},
Bdsk-Url-1 = {http://dx.doi.org/10.1039/C7CS00049A}}
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Author = {Bruneval,Fabien and Hamed,Samia M. and Neaton,Jeffrey B.},
Doi = {10.1063/1.4922489},
Eprint = {https://doi.org/10.1063/1.4922489},
Journal = {J. Chem. Phys.},
Number = {24},
Pages = {244101},
Title = {A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules},
Url = {https://doi.org/10.1063/1.4922489},
Volume = {142},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4922489}}
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Author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
Doi = {10.1021/acs.jctc.5b00619},
Eprint = {https://doi.org/10.1021/acs.jctc.5b00619},
Journal = {J. Chem. Theory Comput.},
Note = {PMID: 26574326},
Number = {11},
Pages = {5340-5359},
Title = {0--0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds},
Url = {https://doi.org/10.1021/acs.jctc.5b00619},
Volume = {11},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00619}}
@article{Hirose_2015,
Author = {Hirose, Daichi and Noguchi, Yoshifumi and Sugino, Osamu},
Doi = {10.1103/PhysRevB.91.205111},
Issue = {20},
Journal = {Phys. Rev. B},
Month = {May},
Numpages = {8},
Pages = {205111},
Publisher = {American Physical Society},
Title = {All-electron $GW$+Bethe-Salpeter calculations on small molecules},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.91.205111},
Volume = {91},
Year = {2015},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.91.205111},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.91.205111}}
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Author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
Doi = {10.1021/acs.jpclett.7b00381},
Eprint = {https://doi.org/10.1021/acs.jpclett.7b00381},
Journal = {J. Phys. Chem. Lett.},
Note = {PMID: 28301726},
Number = {7},
Pages = {1524-1529},
Title = {Is the Bethe--Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD},
Url = {https://doi.org/10.1021/acs.jpclett.7b00381},
Volume = {8},
Year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.7b00381}}
@article{Azarias_2017,
Author = {Azarias, Clo{\'e} and Habert, Chlo\'{e} and Budz\'{a}k, \check{S}imon and Blase, Xavier and Duchemin, Ivan and Jacquemin, Denis},
Doi = {10.1021/acs.jpca.7b05222},
Eprint = {https://doi.org/10.1021/acs.jpca.7b05222},
Journal = {J. Phys. Chem. A},
Note = {PMID: 28738157},
Number = {32},
Pages = {6122-6134},
Title = {Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions},
Url = {https://doi.org/10.1021/acs.jpca.7b05222},
Volume = {121},
Year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpca.7b05222}}
@article{Krause_2017,
Abstract = {A software update solving the Bethe−Salpeter equation ...},
Author = {Krause, Katharina and Klopper, Wim},
Date-Modified = {2020-04-16 20:52:23 +0200},
Doi = {10.1002/jcc.24688},
Eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.24688},
Journal = {J. Comp. Chem.},
Keywords = {electronic excitation energy, time-dependent density-functional theory, Bethe−Salpeter equation, resolution-of-the-identity approximation, exchange interaction},
Number = {6},
Pages = {383-388},
Title = {Implementation of the Bethe-Salpeter equation in the TURBOMOLE program},
Url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.24688},
Volume = {38},
Year = {2017},
Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.24688},
Bdsk-Url-2 = {https://doi.org/10.1002/jcc.24688}}
@article{Gui_2018,
Author = {Gui, Xin and Holzer, Christof and Klopper, Wim},
Doi = {10.1021/acs.jctc.8b00014},
Eprint = {https://doi.org/10.1021/acs.jctc.8b00014},
Journal = {J. Chem. Theory Comput.},
Note = {PMID: 29499116},
Number = {4},
Pages = {2127-2136},
Title = {Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe--Salpeter Formalism},
Url = {https://doi.org/10.1021/acs.jctc.8b00014},
Volume = {14},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00014}}
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Author = {Dreuw, Andreas and Head-Gordon, Martin},
Date-Modified = {2020-04-17 20:05:23 +0200},
Doi = {10.1021/ja039556n},
Eprint = {https://doi.org/10.1021/ja039556n},
Journal = {Journal of the American Chemical Society},
Note = {PMID: 15038755},
Number = {12},
Pages = {4007-4016},
Title = {Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin-Bacteriochlorin and Bacteriochlorophyll-Spheroidene Complexes},
Url = {https://doi.org/10.1021/ja039556n},
Volume = {126},
Year = {2004},
Bdsk-Url-1 = {https://doi.org/10.1021/ja039556n}}
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Author = {Blase,X. and Attaccalite,C.},
Doi = {10.1063/1.3655352},
Eprint = {https://doi.org/10.1063/1.3655352},
Journal = {Applied Physics Letters},
Number = {17},
Pages = {171909},
Title = {Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach},
Url = {https://doi.org/10.1063/1.3655352},
Volume = {99},
Year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3655352}}
@article{Duchemin_2012,
Author = {Duchemin, I. and Deutsch, T. and Blase, X.},
Doi = {10.1103/PhysRevLett.109.167801},
Issue = {16},
Journal = {Phys. Rev. Lett.},
Month = {Oct},
Numpages = {6},
Pages = {167801},
Publisher = {American Physical Society},
Title = {Short-Range to Long-Range Charge-Transfer Excitations in the Zincbacteriochlorin-Bacteriochlorin Complex: A Bethe-Salpeter Study},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.109.167801},
Volume = {109},
Year = {2012},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.109.167801},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.109.167801}}
@article{Baumeier_2012,
Author = {Baumeier, Bj{\"o}rn and Andrienko, Denis and Rohlfing, Michael},
Doi = {10.1021/ct300311x},
Eprint = {https://doi.org/10.1021/ct300311x},
Journal = {Journal of Chemical Theory and Computation},
Note = {PMID: 26592120},
Number = {8},
Pages = {2790-2795},
Title = {Frenkel and Charge-Transfer Excitations in Donor--acceptor Complexes from Many-Body Green's Functions Theory},
Url = {https://doi.org/10.1021/ct300311x},
Volume = {8},
Year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1021/ct300311x}}
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Author = {Ziaei,Vafa and Bredow,Thomas},
Doi = {10.1063/1.4966920},
Eprint = {https://doi.org/10.1063/1.4966920},
Journal = {The Journal of Chemical Physics},
Number = {17},
Pages = {174305},
Title = {GW-BSE approach on S1 vertical transition energy of large charge transfer compounds: A performance assessment},
Url = {https://doi.org/10.1063/1.4966920},
Volume = {145},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4966920}}
@article{Hirose_2017,
Author = {Hirose,Daichi and Noguchi,Yoshifumi and Sugino,Osamu},
Doi = {10.1063/1.4974320},
Eprint = {https://doi.org/10.1063/1.4974320},
Journal = {J. Chem. Phys.},
Number = {4},
Pages = {044303},
Title = {Quantitative characterization of exciton from GW + Bethe-Salpeter calculation},
Url = {https://doi.org/10.1063/1.4974320},
Volume = {146},
Year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4974320}}
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Author = {Hummer, Kerstin and Puschnig, Peter and Ambrosch-Draxl, Claudia},
Doi = {10.1103/PhysRevLett.92.147402},
Issue = {14},
Journal = {Phys. Rev. Lett.},
Month = {Apr},
Numpages = {4},
Pages = {147402},
Publisher = {American Physical Society},
Title = {Lowest Optical Excitations in Molecular Crystals: Bound Excitons versus Free Electron-Hole Pairs in Anthracene},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.92.147402},
Volume = {92},
Year = {2004},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.92.147402},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.92.147402}}
@article{Hummer_2005,
Author = {Hummer, Kerstin and Ambrosch-Draxl, Claudia},
Doi = {10.1103/PhysRevB.71.081202},
Issue = {8},
Journal = {Phys. Rev. B},
Month = {Feb},
Numpages = {4},
Pages = {081202},
Publisher = {American Physical Society},
Title = {Oligoacene exciton binding energies: Their dependence on molecular size},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.71.081202},
Volume = {71},
Year = {2005},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.71.081202},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.71.081202}}
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Author = {Cudazzo, Pierluigi and Attaccalite, Claudio and Tokatly, Ilya V. and Rubio, Angel},
Doi = {10.1103/PhysRevLett.104.226804},
Issue = {22},
Journal = {Phys. Rev. Lett.},
Month = {Jun},
Numpages = {4},
Pages = {226804},
Publisher = {American Physical Society},
Title = {Strong Charge-Transfer Excitonic Effects and the Bose-Einstein Exciton Condensate in Graphane},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.104.226804},
Volume = {104},
Year = {2010},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.104.226804},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.104.226804}}
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Author = {Sharifzadeh, Sahar and Darancet, Pierre and Kronik, Leeor and Neaton, Jeffrey B.},
Doi = {10.1021/jz401069f},
Eprint = {https://doi.org/10.1021/jz401069f},
Journal = {J. Phys. Chem. Lett.},
Number = {13},
Pages = {2197-2201},
Title = {Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene},
Url = {https://doi.org/10.1021/jz401069f},
Volume = {4},
Year = {2013},
Bdsk-Url-1 = {https://doi.org/10.1021/jz401069f}}
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Author = {Cudazzo, Pierluigi and Gatti, Matteo and Rubio, Angel and Sottile, Francesco},
Doi = {10.1103/PhysRevB.88.195152},
Issue = {19},
Journal = {Phys. Rev. B},
Month = {Nov},
Numpages = {5},
Pages = {195152},
Publisher = {American Physical Society},
Title = {Frenkel versus charge-transfer exciton dispersion in molecular crystals},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.88.195152},
Volume = {88},
Year = {2013},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.88.195152},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.88.195152}}
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Author = {Romaniello,P. and Sangalli,D. and Berger,J. A. and Sottile,F. and Molinari,L. G. and Reining,L. and Onida,G.},
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Eprint = {https://doi.org/10.1063/1.3065669},
Journal = {J. Chem. Phys.},
Number = {4},
Pages = {044108},
Title = {Double excitations in finite systems},
Url = {https://doi.org/10.1063/1.3065669},
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Year = {2009},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3065669}}
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Author = {Ma, Yuchen and Rohlfing, Michael and Molteni, Carla},
Doi = {10.1103/PhysRevB.80.241405},
Issue = {24},
Journal = {Phys. Rev. B},
Month = {Dec},
Numpages = {4},
Pages = {241405},
Publisher = {American Physical Society},
Title = {Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.80.241405},
Volume = {80},
Year = {2009},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.80.241405},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.80.241405}}
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Author = {Zhang,Du and Steinmann,Stephan N. and Yang,Weitao},
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Number = {15},
Pages = {154109},
Title = {Dynamical second-order Bethe-Salpeter equation kernel: A method for electronic excitation beyond the adiabatic approximation},
Url = {https://doi.org/10.1063/1.4824907},
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Year = {2013},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4824907}}
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Author = {Rebolini,Elisa and Toulouse,Julien},
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Eprint = {https://doi.org/10.1063/1.4943003},
Journal = {J. Chem. Phys.},
Number = {9},
Pages = {094107},
Title = {Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel},
Url = {https://doi.org/10.1063/1.4943003},
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Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4943003}}
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Author = {Olevano,Valerio and Toulouse,Julien and Schuck,Peter},
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Eprint = {https://doi.org/10.1063/1.5080330},
Journal = {J. Chem. Phys.},
Number = {8},
Pages = {084112},
Title = {A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW+BSE and self-consistent RPA},
Url = {https://doi.org/10.1063/1.5080330},
Volume = {150},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5080330}}
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Abstract = {We obtain x-ray absorption near-edge structures (XANES) by solving the equation of motion for the two-particle Green's function ... },
Author = {W Olovsson and I Tanaka and P Puschnig and C Ambrosch-Draxl},
Doi = {10.1088/0953-8984/21/10/104205},
Journal = {Journal of Physics: Condensed Matter},
Month = {feb},
Number = {10},
Pages = {104205},
Publisher = {{IOP} Publishing},
Title = {Near-edge structures from first principles all-electron Bethe{\textendash}Salpeter equation calculations},
Url = {https://doi.org/10.1088%2F0953-8984%2F21%2F10%2F104205},
Volume = {21},
Year = 2009,
Bdsk-Url-1 = {https://doi.org/10.1088%2F0953-8984%2F21%2F10%2F104205},
Bdsk-Url-2 = {https://doi.org/10.1088/0953-8984/21/10/104205}}
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Issue = {11},
Journal = {Phys. Rev. B},
Month = {Mar},
Numpages = {7},
Pages = {115106},
Publisher = {American Physical Society},
Title = {Bethe-Salpeter equation calculations of core excitation spectra},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.83.115106},
Volume = {83},
Year = {2011},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.83.115106},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.83.115106}}
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Year = {1991},
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Journal = {J. Chem. Phys.},
Number = {1},
Pages = {489-494},
Title = {Laplace transform techniques in M{\o}ller--Plesset perturbation theory},
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Year = {1992},
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Month = {Mar},
Numpages = {0},
Pages = {1827--1830},
Publisher = {American Physical Society},
Title = {Space-Time Method for Ab Initio Calculations of Self-Energies and Dielectric Response Functions of Solids},
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Volume = {74},
Year = {1995},
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Title = {Charge-Transfer Excitations in Molecular Donor-Acceptor Complexes within the Many-Body Bethe-Salpeter Approach},
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Year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3655352}}
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author = {Kaltak, Merzuk and Klime\v{s}, Ji\v{i}\'{i} and Kresse, Georg},
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year = {2014},
doi = {10.1021/ct5001268},
note ={PMID: 26580770},
URL = { https://doi.org/10.1021/ct5001268},
eprint = { https://doi.org/10.1021/ct5001268}
}
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title = {Cubic Scaling $GW$: Towards Fast Quasiparticle Calculations},
author = {Liu, Peitao and Kaltak, Merzuk and Klime\ifmmode \check{s}\else \v{s}\fi{}, Ji\ifmmode \check{r}\else \v{r}\fi{}\'{\i} and Kresse, Georg},
journal = {Phys. Rev. B},
volume = {94},
issue = {16},
pages = {165109},
numpages = {13},
year = {2016},
month = {Oct},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.94.165109},
url = {https://link.aps.org/doi/10.1103/PhysRevB.94.165109}
}
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author = {Duchemin,Ivan and Blase,Xavier },
title = {Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA},
journal = { J. Chem. Phys. },
volume = {150},
number = {17},
pages = {174120},
year = {2019},
doi = {10.1063/1.5090605},
URL = { https://doi.org/10.1063/1.5090605},
eprint = { https://doi.org/10.1063/1.5090605}
}
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title = "Cubic Scaling Algorithms for RPA Correlation Using Interpolative Separable Density Fitting",
journal = "J. Comput. Phys.",
volume = "351",
pages = "187 - 202",
year = "2017",
issn = "0021-9991",
doi = "https://doi.org/10.1016/j.jcp.2017.09.012",
url = "http://www.sciencedirect.com/science/article/pii/S002199911730671X",
author = "Jianfeng Lu and Kyle Thicke",
keywords = "Electronic structure theory, Density fitting, Random phase approximation, Fast algorithms, Contour integral",
abstract = "We present a new cubic scaling algorithm for the calculation of the RPA correlation energy. Our scheme splits up the dependence between the occupied and virtual orbitals in χ0 by use of Cauchy's integral formula. This introduces an additional integral to be carried out, for which we provide a geometrically convergent quadrature rule. Our scheme also uses the newly developed Interpolative Separable Density Fitting algorithm to further reduce the computational cost in a way analogous to that of the Resolution of Identity method."
}
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}
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author = {Elliott, Joshua D. and Colonna, Nicola and Marsili, Margherita and Marzari, Nicola and Umari, Paolo},
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URL = { https://doi.org/10.1021/acs.jctc.8b01271},
eprint = { https://doi.org/10.1021/acs.jctc.8b01271}
}
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author = {Vl\v{c}ek, Vojt\v{e}ch and Rabani, Eran and Neuhauser, Daniel and Baer, Roi},
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note ={PMID: 28876912},
URL = { https://doi.org/10.1021/acs.jctc.7b00770},
eprint = { https://doi.org/10.1021/acs.jctc.7b00770}
}
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author = {Wilhelm, Jan and Golze, Dorothea and Talirz, Leopold and Hutter, Jürg and Pignedoli, Carlo A.},
title = {Toward GW Calculations on Thousands of Atoms},
journal = {The Journal of Physical Chemistry Letters},
volume = {9},
number = {2},
pages = {306-312},
year = {2018},
doi = {10.1021/acs.jpclett.7b02740},
note ={PMID: 29280376},
URL = { https://doi.org/10.1021/acs.jpclett.7b02740},
eprint = { https://doi.org/10.1021/acs.jpclett.7b02740}
}
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author = {Foerster,D. and Koval,P. and Sánchez-Portal,D. },
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volume = {135},
number = {7},
pages = {074105},
year = {2011},
doi = {10.1063/1.3624731},
URL = { https://doi.org/10.1063/1.3624731},
eprint = { https://doi.org/10.1063/1.3624731}
}
@article{Gao_2020,
author = {Gao, Weiwei and Chelikowsky, James R.},
title = {Accelerating Time-Dependent Density Functional Theory and GW Calculations for Molecules and Nanoclusters with Symmetry Adapted Interpolative Separable Density Fitting},
journal = {J. Chem. Theory Comput.},
volume = {16},
number = {4},
pages = {2216-2223},
year = {2020},
doi = {10.1021/acs.jctc.9b01025},
note ={PMID: 32074452},
URL = { https://doi.org/10.1021/acs.jctc.9b01025},
eprint = { https://doi.org/10.1021/acs.jctc.9b01025}
}
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