%% biblio JPCL perspective %% Historical GW @article{Hedin_1965, Author = {Hedin, Lars}, Doi = {10.1103/PhysRev.139.A796}, Issue = {3A}, Journal = {Phys. Rev.}, Month = {Aug}, Numpages = {0}, Pages = {A796--A823}, Publisher = {American Physical Society}, Title = {New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem}, Url = {http://link.aps.org/doi/10.1103/PhysRev.139.A796}, Volume = {139}, Year = {1965}, 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, title = " Electron Correlation in the Solid State - Chapter 3", author = "Behnam Farid", publisher = "Imperial College Press, London", editor="N.H. March", year = "1999" } @article{Strinati_1980, Author = {Strinati, G. and Mattausch, H. J. and Hanke, W.}, Doi = {10.1103/PhysRevLett.45.290}, Issue = {4}, Journal = {Phys. Rev. Lett.}, Month = {Jul}, Numpages = {0}, Pages = {290--294}, Publisher = {American Physical Society}, Title = {Dynamical Correlation Effects on the Quasiparticle Bloch States of a Covalent Crystal}, Url = {http://link.aps.org/doi/10.1103/PhysRevLett.45.290}, Volume = {45}, Year = {1980}, Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.45.290}, Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.45.290}} @article{Hybetsen_1986, Author = {Hybertsen, Mark S. and Louie, Steven G.}, Doi = {10.1103/PhysRevB.34.5390}, Issue = {8}, Journal = {Phys. Rev. B}, Month = {Oct}, Numpages = {0}, Pages = {5390--5413}, Publisher = {American Physical Society}, 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}} @article{Godby_1988, Author = {Godby, R. W. and Schl\"uter, M. and Sham, L. J.}, Doi = {10.1103/PhysRevB.37.10159}, Issue = {17}, Journal = {Phys. Rev. B}, Month = {Jun}, Numpages = {0}, Pages = {10159--10175}, Publisher = {American Physical Society}, Title = {Self-energy operators and exchange-correlation potentials in semiconductors}, Url = {http://link.aps.org/doi/10.1103/PhysRevB.37.10159}, 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}} @article{Linden_1988, Author = {von der Linden, Wolfgang and Horsch, Peter}, Doi = {10.1103/PhysRevB.37.8351}, Issue = {14}, Journal = {Phys. Rev. B}, Month = {May}, Numpages = {0}, 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}, Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.37.8351}} %%% Reviews @article{Ary98, doi = {10.1088/0034-4885/61/3/002}, url = {https://doi.org/10.1088%2F0034-4885%2F61%2F3%2F002}, year = 1998, month = {mar}, publisher = {{IOP} Publishing}, volume = {61}, number = {3}, pages = {237--312}, author = {F Aryasetiawan and O Gunnarsson}, title = {{The GW method}}, journal = {Rep. Prog. Phys.} } @article{Onida_02, title = {Electronic excitations: density-functional versus many-body Green's-function approaches}, author = {Onida, Giovanni and Reining, Lucia and Rubio, Angel}, journal = {Rev. Mod. Phys.}, volume = {74}, issue = {2}, pages = {601--659}, numpages = {0}, year = {2002}, month = {Jun}, publisher = {American Physical Society}, doi = {10.1103/RevModPhys.74.601}, url = {https://link.aps.org/doi/10.1103/RevModPhys.74.601} } @book{ReiningBook, title={Interacting Electrons: Theory and Computational Approaches}, author={ Martin, R.M. and Reining, L. and Ceperley, D.M. }, isbn={ 0521871506 }, series={ }, url={ }, year={2016 }, publisher={ Cambridge University Press } } @ARTICLE{Golze_2019rev, AUTHOR={Golze, Dorothea and Dvorak, Marc and Rinke, Patrick}, TITLE={The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy}, JOURNAL={ Front. Chem.}, VOLUME={7}, PAGES={377}, YEAR={2019}, URL={https://www.frontiersin.org/article/10.3389/fchem.2019.00377}, DOI={10.3389/fchem.2019.00377}, ISSN={2296-2646} } %%% BSE Historical @article{Salpeter_1951, title = {A Relativistic Equation for Bound-State Problems}, author = {Salpeter, E. E. and Bethe, H. A.}, journal = {Phys. Rev.}, volume = {84}, issue = {6}, pages = {1232--1242}, numpages = {0}, year = {1951}, month = {Dec}, publisher = {American Physical Society}, doi = {10.1103/PhysRev.84.1232}, url = {https://link.aps.org/doi/10.1103/PhysRev.84.1232} } @article{Sham_1966, title = {Many-Particle Derivation of the Effective-Mass Equation for the Wannier Exciton}, author = {Sham, L. J. and Rice, T. M.}, journal = {Phys. Rev.}, volume = {144}, issue = {2}, pages = {708--714}, numpages = {0}, year = {1966}, month = {Apr}, publisher = {American Physical Society}, doi = {10.1103/PhysRev.144.708}, url = {https://link.aps.org/doi/10.1103/PhysRev.144.708} } @article{Strinati_1984, title = {Effects of dynamical screening on resonances at inner-shell thresholds in semiconductors}, author = {Strinati, G.}, journal = {Phys. Rev. B}, volume = {29}, issue = {10}, pages = {5718--5726}, numpages = {0}, year = {1984}, month = {May}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.29.5718}, url = {https://link.aps.org/doi/10.1103/PhysRevB.29.5718} } @article{Onida_1995, title = {Ab Initio Calculations of the Quasiparticle and Absorption Spectra of Clusters: The Sodium Tetramer}, author = {Onida, Giovanni and Reining, Lucia and Godby, R. W. and Del Sole, R. and Andreoni, Wanda}, journal = {Phys. Rev. Lett.}, volume = {75}, issue = {5}, pages = {818--821}, numpages = {0}, year = {1995}, month = {Jul}, publisher = {American Physical Society}, doi = {10.1103/PhysRevLett.75.818}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.75.818} } @article{Albrecht_1997, title = {Ab initio calculation of the quasiparticle spectrum and excitonic effects in ${\mathrm{Li}}_{2}$O}, author = {Albrecht, Stefan and Onida, Giovanni and Reining, Lucia}, journal = {Phys. Rev. B}, volume = {55}, issue = {16}, pages = {10278--10281}, numpages = {0}, year = {1997}, month = {Apr}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.55.10278}, url = {https://link.aps.org/doi/10.1103/PhysRevB.55.10278} } @article{Rohlfing_1998, title = {Excitonic Effects and the Optical Absorption Spectrum of Hydrogenated Si Clusters}, author = {Rohlfing, Michael and Louie, Steven G.}, journal = {Phys. Rev. Lett.}, volume = {80}, issue = {15}, pages = {3320--3323}, numpages = {0}, year = {1998}, month = {Apr}, publisher = {American Physical Society}, doi = {10.1103/PhysRevLett.80.3320}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.80.3320} } @article{Benedict_1998, title = {Optical Absorption of Insulators and the Electron-Hole Interaction: An Ab Initio Calculation}, author = {Benedict, Lorin X. and Shirley, Eric L. and Bohn, Robert B.}, journal = {Phys. Rev. Lett.}, volume = {80}, issue = {20}, pages = {4514--4517}, numpages = {0}, year = {1998}, month = {May}, publisher = {American Physical Society}, doi = {10.1103/PhysRevLett.80.4514}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.80.4514} } @article{Rohlfing_1999, title = {Excitons and Optical Spectrum of the $\mathrm{Si}(111)\ensuremath{-}(2\ifmmode\times\else\texttimes\fi{}1)$ Surface}, author = {Rohlfing, Michael and Louie, Steven G.}, journal = {Phys. Rev. Lett.}, volume = {83}, issue = {4}, pages = {856--859}, numpages = {0}, year = {1999}, month = {Jul}, publisher = {American Physical Society}, doi = {10.1103/PhysRevLett.83.856}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.856} } @article{Rohlfing_2000, title = {Electron-hole excitations and optical spectra from first principles}, author = {Rohlfing, Michael and Louie, Steven G.}, journal = {Phys. Rev. B}, volume = {62}, issue = {8}, pages = {4927--4944}, numpages = {0}, year = {2000}, month = {Aug}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.62.4927}, url = {https://link.aps.org/doi/10.1103/PhysRevB.62.4927} } @article{Delerue_2000, title = {Excitonic and Quasiparticle Gaps in Si Nanocrystals}, author = {Delerue, C. and Lannoo, M. and Allan, G.}, journal = {Phys. Rev. Lett.}, volume = {84}, issue = {11}, pages = {2457--2460}, numpages = {0}, year = {2000}, month = {Mar}, publisher = {American Physical Society}, doi = {10.1103/PhysRevLett.84.2457}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.84.2457} } %%% Chemistry oriented Reviews @article{Ren_2012, doi = {10.1088/1367-2630/14/5/053020}, url = {https://doi.org/10.1088%2F1367-2630%2F14%2F5%2F053020}, year = 2012, month = {may}, publisher = {{IOP} Publishing}, volume = {14}, number = {5}, pages = {053020}, author = {Xinguo Ren and Patrick Rinke and Volker Blum and Jürgen Wieferink and Alexandre Tkatchenko and Andrea Sanfilippo and Karsten Reuter and Matthias Scheffler}, title = {Resolution-of-identity approach to Hartree{\textendash}Fock, hybrid density functionals, {RPA}, {MP}2 {andGWwith} numeric atom-centered orbital basis functions}, journal = { New J. Phys. }, } @Article{Ping_2013, author ="Ping, Yuan and Rocca, Dario and Galli, Giulia", title ="Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory", journal ="Chem. Soc. Rev.", year ="2013", volume ="42", issue ="6", pages ="2437-2469", publisher ="The Royal Society of Chemistry", doi ="10.1039/C3CS00007A", url ="http://dx.doi.org/10.1039/C3CS00007A", 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."} @article{Leng_2016, author = {Leng, Xia and Jin, Fan and Wei, Min and Ma, Yuchen}, title = {GW method and Bethe–Salpeter equation for calculating electronic excitations}, journal = {WIREs Computational Molecular Science}, volume = {6}, number = {5}, pages = {532-550}, doi = {10.1002/wcms.1265}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.1265}, eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1265}, year = {2016} } @Article{Blase_2018, author ="Blase, Xavier and Duchemin, Ivan and Jacquemin, Denis", title ="The Bethe–Salpeter equation in chemistry: relations with TD-DFT{,} applications and challenges", journal ="Chem. Soc. Rev.", year ="2018", volume ="47", issue ="3", pages ="1022-1043", publisher ="The Royal Society of Chemistry", doi ="10.1039/C7CS00049A", url ="http://dx.doi.org/10.1039/C7CS00049A", } %%% GW benchmarks @article{Korbel_2014, author = {K{\"o}rbel, Sabine and Boulanger, Paul and Duchemin, Ivan and Blase, Xavier and Marques, Miguel A. L. and Botti, Silvana}, title = {Benchmark Many-Body GW and Bethe–Salpeter Calculations for Small Transition Metal Molecules}, journal = {J. Chem.Theory Comput. }, volume = {10}, number = {9}, pages = {3934-3943}, year = {2014}, doi = {10.1021/ct5003658}, note ={PMID: 26588537}, URL = { https://doi.org/10.1021/ct5003658}, eprint = { https://doi.org/10.1021/ct5003658 } %%% BSE benchmarks @article{Jacquemin_2015a, author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier}, title = {Benchmarking the Bethe–Salpeter Formalism on a Standard Organic Molecular Set}, journal = {J. Chem.Theory Comput. }, volume = {11}, number = {7}, pages = {3290-3304}, year = {2015}, doi = {10.1021/acs.jctc.5b00304}, note ={PMID: 26207104}, URL = { https://doi.org/10.1021/acs.jctc.5b00304}, eprint = { https://doi.org/10.1021/acs.jctc.5b00304} } @article{Bruneval_2015, author = {Bruneval,Fabien and Hamed,Samia M. and Neaton,Jeffrey B. }, title = {A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules}, journal = { J. Chem. Phys. }, volume = {142}, number = {24}, pages = {244101}, year = {2015}, doi = {10.1063/1.4922489}, URL = { https://doi.org/10.1063/1.4922489}, eprint = { https://doi.org/10.1063/1.4922489} } @article{Jacquemin_2015b, author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier}, 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}, journal = {J. Chem. Theory Comput.}, volume = {11}, number = {11}, pages = {5340-5359}, year = {2015}, doi = {10.1021/acs.jctc.5b00619}, note ={PMID: 26574326}, URL = { https://doi.org/10.1021/acs.jctc.5b00619}, eprint = { https://doi.org/10.1021/acs.jctc.5b00619} } @article{Hirose_2015, title = {All-electron $GW$+Bethe-Salpeter calculations on small molecules}, author = {Hirose, Daichi and Noguchi, Yoshifumi and Sugino, Osamu}, journal = {Phys. Rev. B}, volume = {91}, issue = {20}, pages = {205111}, numpages = {8}, year = {2015}, month = {May}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.91.205111}, url = {https://link.aps.org/doi/10.1103/PhysRevB.91.205111} } @article{Jacquemin_2017, author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier}, title = {Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD}, journal = {J. Phys. Chem. Lett. }, volume = {8}, number = {7}, pages = {1524-1529}, year = {2017}, doi = {10.1021/acs.jpclett.7b00381}, note ={PMID: 28301726}, URL = { https://doi.org/10.1021/acs.jpclett.7b00381}, eprint = { https://doi.org/10.1021/acs.jpclett.7b00381} } @article{Azarias_2017, author = {Azarias, Cloé and Habert, Chlo\'{e} and Budz\'{a}k, \check{S}imon and Blase, Xavier and Duchemin, Ivan and Jacquemin, Denis}, title = {Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions}, journal = { J. Phys. Chem. A }, volume = {121}, number = {32}, pages = {6122-6134}, year = {2017}, doi = {10.1021/acs.jpca.7b05222}, note ={PMID: 28738157}, URL = { https://doi.org/10.1021/acs.jpca.7b05222}, eprint = { https://doi.org/10.1021/acs.jpca.7b05222} } @article{Krause_2017, author = {Krause, Katharina and Klopper, Wim}, title = {Implementation of the Bethe−Salpeter equation in the TURBOMOLE program}, journal = {J. Comp. Chem.}, volume = {38}, number = {6}, pages = {383-388}, keywords = {electronic excitation energy, time-dependent density-functional theory, Bethe−Salpeter equation, resolution-of-the-identity approximation, exchange interaction}, doi = {10.1002/jcc.24688}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.24688}, eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.24688}, abstract = {A software update solving the Bethe−Salpeter equation ...}, year = {2017} } @article{Gui_2018, author = {Gui, Xin and Holzer, Christof and Klopper, Wim}, title = {Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe–Salpeter Formalism}, journal = {J. Chem. Theory Comput. }, volume = {14}, number = {4}, pages = {2127-2136}, year = {2018}, doi = {10.1021/acs.jctc.8b00014}, note ={PMID: 29499116}, URL = { https://doi.org/10.1021/acs.jctc.8b00014}, eprint = { https://doi.org/10.1021/acs.jctc.8b00014} } %%% Charge-transfer @article{Dreuw_2004, author = {Dreuw, Andreas and Head-Gordon, Martin}, title = {Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States:  The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes}, journal = {Journal of the American Chemical Society}, volume = {126}, number = {12}, pages = {4007-4016}, year = {2004}, doi = {10.1021/ja039556n}, note ={PMID: 15038755}, URL = { https://doi.org/10.1021/ja039556n}, eprint = { https://doi.org/10.1021/ja039556n} } @article{Blase_2011, author = {Blase,X. and Attaccalite,C. }, title = {Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach}, journal = {Applied Physics Letters}, volume = {99}, number = {17}, pages = {171909}, year = {2011}, doi = {10.1063/1.3655352}, URL = { https://doi.org/10.1063/1.3655352}, eprint = { https://doi.org/10.1063/1.3655352} } @article{Duchemin_2012, title = {Short-Range to Long-Range Charge-Transfer Excitations in the Zincbacteriochlorin-Bacteriochlorin Complex: A Bethe-Salpeter Study}, author = {Duchemin, I. and Deutsch, T. and Blase, X.}, journal = {Phys. Rev. Lett.}, volume = {109}, issue = {16}, pages = {167801}, numpages = {6}, year = {2012}, month = {Oct}, publisher = {American Physical Society}, doi = {10.1103/PhysRevLett.109.167801}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.109.167801} } @article{Baumeier_2012, author = {Baumeier, Björn and Andrienko, Denis and Rohlfing, Michael}, title = {Frenkel and Charge-Transfer Excitations in Donor–acceptor Complexes from Many-Body Green’s Functions Theory}, journal = {Journal of Chemical Theory and Computation}, volume = {8}, number = {8}, pages = {2790-2795}, year = {2012}, doi = {10.1021/ct300311x}, note ={PMID: 26592120}, URL = { https://doi.org/10.1021/ct300311x}, eprint = { https://doi.org/10.1021/ct300311x} } @article{Ziaei_2016, author = {Ziaei,Vafa and Bredow,Thomas }, title = {GW-BSE approach on S1 vertical transition energy of large charge transfer compounds: A performance assessment}, journal = {The Journal of Chemical Physics}, volume = {145}, number = {17}, pages = {174305}, year = {2016}, doi = {10.1063/1.4966920}, URL = { https://doi.org/10.1063/1.4966920}, eprint = { https://doi.org/10.1063/1.4966920} } @article{Hirose_2017, author = {Hirose,Daichi and Noguchi,Yoshifumi and Sugino,Osamu }, title = {Quantitative characterization of exciton from GW + Bethe-Salpeter calculation}, journal = { J. Chem. Phys.}, volume = {146}, number = {4}, pages = {044303}, year = {2017}, doi = {10.1063/1.4974320}, URL = { https://doi.org/10.1063/1.4974320}, eprint = { https://doi.org/10.1063/1.4974320} } %%CT in solids @article{Hummer_2004, title = {Lowest Optical Excitations in Molecular Crystals: Bound Excitons versus Free Electron-Hole Pairs in Anthracene}, author = {Hummer, Kerstin and Puschnig, Peter and Ambrosch-Draxl, Claudia}, journal = {Phys. Rev. Lett.}, volume = {92}, issue = {14}, pages = {147402}, numpages = {4}, year = {2004}, month = {Apr}, publisher = {American Physical Society}, doi = {10.1103/PhysRevLett.92.147402}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.92.147402} } @article{Hummer_2005, title = {Oligoacene exciton binding energies: Their dependence on molecular size}, author = {Hummer, Kerstin and Ambrosch-Draxl, Claudia}, journal = {Phys. Rev. B}, volume = {71}, issue = {8}, pages = {081202}, numpages = {4}, year = {2005}, month = {Feb}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.71.081202}, url = {https://link.aps.org/doi/10.1103/PhysRevB.71.081202} } @article{Cudazzo_2010, title = {Strong Charge-Transfer Excitonic Effects and the Bose-Einstein Exciton Condensate in Graphane}, author = {Cudazzo, Pierluigi and Attaccalite, Claudio and Tokatly, Ilya V. and Rubio, Angel}, journal = {Phys. Rev. Lett.}, volume = {104}, issue = {22}, pages = {226804}, numpages = {4}, year = {2010}, month = {Jun}, publisher = {American Physical Society}, doi = {10.1103/PhysRevLett.104.226804}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.104.226804} } @article{Sharifzadeh_2013, author = {Sharifzadeh, Sahar and Darancet, Pierre and Kronik, Leeor and Neaton, Jeffrey B.}, title = {Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene}, journal = { J. Phys. Chem. Lett. }, volume = {4}, number = {13}, pages = {2197-2201}, year = {2013}, doi = {10.1021/jz401069f}, URL = { https://doi.org/10.1021/jz401069f}, eprint = { https://doi.org/10.1021/jz401069f} } @article{Cudazzo_2013, title = {Frenkel versus charge-transfer exciton dispersion in molecular crystals}, author = {Cudazzo, Pierluigi and Gatti, Matteo and Rubio, Angel and Sottile, Francesco}, journal = {Phys. Rev. B}, volume = {88}, issue = {19}, pages = {195152}, numpages = {5}, year = {2013}, month = {Nov}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.88.195152}, url = {https://link.aps.org/doi/10.1103/PhysRevB.88.195152} } %%% Dynamical BSE @article{Romaniello_2009, author = {Romaniello,P. and Sangalli,D. and Berger,J. A. and Sottile,F. and Molinari,L. G. and Reining,L. and Onida,G. }, title = {Double excitations in finite systems}, journal = { J. Chem. Phys. }, volume = {130}, number = {4}, pages = {044108}, year = {2009}, doi = {10.1063/1.3065669}, URL = { https://doi.org/10.1063/1.3065669}, eprint = { https://doi.org/10.1063/1.3065669} } @article{Ma_2009, title = {Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening}, author = {Ma, Yuchen and Rohlfing, Michael and Molteni, Carla}, journal = {Phys. Rev. B}, volume = {80}, issue = {24}, pages = {241405}, numpages = {4}, year = {2009}, month = {Dec}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.80.241405}, url = {https://link.aps.org/doi/10.1103/PhysRevB.80.241405} } @article{Zhang_2013, author = {Zhang,Du and Steinmann,Stephan N. and Yang,Weitao }, title = {Dynamical second-order Bethe-Salpeter equation kernel: A method for electronic excitation beyond the adiabatic approximation}, journal = { J. Chem. Phys. }, volume = {139}, number = {15}, pages = {154109}, year = {2013}, doi = {10.1063/1.4824907}, URL = { https://doi.org/10.1063/1.4824907}, eprint = { https://doi.org/10.1063/1.4824907} } @article{Rebolini_2016, author = {Rebolini,Elisa and Toulouse,Julien }, title = {Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel}, journal = { J. Chem. Phys. }, volume = {144}, number = {9}, pages = {094107}, year = {2016}, doi = {10.1063/1.4943003}, URL = { https://doi.org/10.1063/1.4943003}, eprint = { https://doi.org/10.1063/1.4943003} } @article{Olevano_2019, author = {Olevano,Valerio and Toulouse,Julien and Schuck,Peter }, title = {A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW+BSE and self-consistent RPA}, journal = { J. Chem. Phys. }, volume = {150}, number = {8}, pages = {084112}, year = {2019}, doi = {10.1063/1.5080330}, URL = { https://doi.org/10.1063/1.5080330}, eprint = { https://doi.org/10.1063/1.5080330} } %%% GW and Bethe-Salpeter core levels @article{Olovsson_2009, doi = {10.1088/0953-8984/21/10/104205}, url = {https://doi.org/10.1088%2F0953-8984%2F21%2F10%2F104205}, year = 2009, month = {feb}, publisher = {{IOP} Publishing}, volume = {21}, number = {10}, pages = {104205}, author = {W Olovsson and I Tanaka and P Puschnig and C Ambrosch-Draxl}, title = {Near-edge structures from first principles all-electron Bethe{\textendash}Salpeter equation calculations}, journal = {Journal of Physics: Condensed Matter}, abstract = {We obtain x-ray absorption near-edge structures (XANES) by solving the equation of motion for the two-particle Green’s function ... } } @article{Vinson_2011, title = {Bethe-Salpeter equation calculations of core excitation spectra}, author = {Vinson, J. and Rehr, J. J. and Kas, J. J. and Shirley, E. L.}, journal = {Phys. Rev. B}, volume = {83}, issue = {11}, pages = {115106}, numpages = {7}, year = {2011}, month = {Mar}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.83.115106}, url = {https://link.aps.org/doi/10.1103/PhysRevB.83.115106} } %% Speed-up and algorythms @article{Almlof_1991, title = "Elimination of energy denominators in M{\o}ller—Plesset perturbation theory by a Laplace transform approach", journal = "Chem. Phys. Lett.", volume = "181", number = "4", pages = "319 - 320", year = "1991", issn = "0009-2614", doi = "https://doi.org/10.1016/0009-2614(91)80078-C", url = "http://www.sciencedirect.com/science/article/pii/000926149180078C", author = "Jan Alml{\"{o}}f", abstract = "It is shown how the energy denominators encountered in various schemes for electronics structure calculation can be removed by a Laplace transform technique. The method is applicable to a wide variety of electronic structure calculations." } @article{Haser_1992, author = {H{\"{a}}ser,Marco and Alml{\"{o}}f,Jan }, title = {Laplace transform techniques in M{\o}ller–Plesset perturbation theory}, journal = { J. Chem. Phys. }, volume = {96}, number = {1}, pages = {489-494}, year = {1992}, doi = {10.1063/1.462485}, URL = { https://doi.org/10.1063/1.462485}, eprint = { https://doi.org/10.1063/1.462485} } @article{Rojas_1995, title = {Space-Time Method for Ab Initio Calculations of Self-Energies and Dielectric Response Functions of Solids}, author = {Rojas, H. N. and Godby, R. W. and Needs, R. J.}, journal = {Phys. Rev. Lett.}, volume = {74}, issue = {10}, pages = {1827--1830}, numpages = {0}, year = {1995}, month = {Mar}, publisher = {American Physical Society}, doi = {10.1103/PhysRevLett.74.1827}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.74.1827} } @article{Walker_2006, title = {Efficient Approach to Time-Dependent Density-Functional Perturbation Theory for Optical Spectroscopy}, author = {Walker, Brent and Saitta, A. Marco and Gebauer, Ralph and Baroni, Stefano}, journal = {Phys. Rev. Lett.}, volume = {96}, issue = {11}, pages = {113001}, numpages = {4}, year = {2006}, month = {Mar}, publisher = {American Physical Society}, doi = {10.1103/PhysRevLett.96.113001}, url = {https://link.aps.org/doi/10.1103/PhysRevLett.96.113001} } @article{Bruneval_2008, title = {Accurate $GW$ self-energies in a plane-wave basis using only a few empty states: Towards large systems}, author = {Bruneval, Fabien and Gonze, Xavier}, journal = {Phys. Rev. B}, volume = {78}, issue = {8}, pages = {085125}, numpages = {9}, year = {2008}, month = {Aug}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.78.085125}, url = {https://link.aps.org/doi/10.1103/PhysRevB.78.085125} } @article{Fuchs_2008, title = {Efficient $\mathcal{O}({N}^{2})$ approach to solve the Bethe-Salpeter equation for excitonic bound states}, author = {Fuchs, F. and R\"odl, C. and Schleife, A. and Bechstedt, F.}, journal = {Phys. Rev. B}, volume = {78}, issue = {8}, pages = {085103}, numpages = {13}, year = {2008}, month = {Aug}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.78.085103}, url = {https://link.aps.org/doi/10.1103/PhysRevB.78.085103} } @article{Giustino_2010, title = {GW method with the self-consistent Sternheimer equation}, author = {Giustino, Feliciano and Cohen, Marvin L. and Louie, Steven G.}, journal = {Phys. Rev. B}, volume = {81}, issue = {11}, pages = {115105}, numpages = {17}, year = {2010}, month = {Mar}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.81.115105}, url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115105} } @article{Umari_2010, title = {GW quasiparticle spectra from occupied states only}, author = {Umari, P. and Stenuit, Geoffrey and Baroni, Stefano}, journal = {Phys. Rev. B}, volume = {81}, issue = {11}, pages = {115104}, numpages = {5}, year = {2010}, month = {Mar}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.81.115104}, url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115104} } @article{Ljungberg_2015, title = {Cubic-scaling iterative solution of the Bethe-Salpeter equation for finite systems}, author = {Ljungberg, M. P. and Koval, P. and Ferrari, F. and Foerster, D. and S\'anchez-Portal, D.}, journal = {Phys. Rev. B}, volume = {92}, issue = {7}, pages = {075422}, numpages = {18}, year = {2015}, month = {Aug}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.92.075422}, url = {https://link.aps.org/doi/10.1103/PhysRevB.92.075422} } %%% triplet instabilities @article{Seeger_1977, author = {Seeger,Rolf and Pople,John A. }, title = {Self‐consistent molecular orbital methods. XVIII. Constraints and stability in Hartree–Fock theory}, journal = { J. Chem. Phys. }, volume = {66}, number = {7}, pages = {3045-3050}, year = {1977}, doi = {10.1063/1.434318}, URL = { https://doi.org/10.1063/1.434318}, eprint = { https://doi.org/10.1063/1.434318} } @article{Bauernschmitt_1996, author = {Bauernschmitt,Rüdiger and Ahlrichs,Reinhart }, title = {Stability analysis for solutions of the closed shell Kohn–Sham equation}, journal = { J. Chem. Phys. }, volume = {104}, number = {22}, pages = {9047-9052}, year = {1996}, doi = {10.1063/1.471637}, URL = { https://doi.org/10.1063/1.471637}, eprint = { https://doi.org/10.1063/1.471637} } @article{Sears_2011, author = {Sears,John S. and Koerzdoerfer,Thomas and Zhang,Cai-Rong and Br{\'{e}}das,Jean-Luc }, title = {Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals}, journal = { J. Chem. Phys. }, volume = {135}, number = {15}, pages = {151103}, year = {2011}, doi = {10.1063/1.3656734}, URL = { https://doi.org/10.1063/1.3656734}, eprint = { https://doi.org/10.1063/1.3656734} } @article{Jacquemin_2017b, author = {Jacquemin, Denis and Duchemin, Ivan and Blondel, Aymeric and Blase, Xavier}, title = {Benchmark of Bethe-Salpeter for Triplet Excited-States}, journal = { J. Chem. Theory Comput. }, volume = {13}, number = {2}, pages = {767-783}, year = {2017}, doi = {10.1021/acs.jctc.6b01169}, note ={PMID: 28107000}, URL = { https://doi.org/10.1021/acs.jctc.6b01169}, eprint = { https://doi.org/10.1021/acs.jctc.6b01169} } @article{Rangel_2017, author = {Rangel,Tonatiuh and Hamed,Samia M. and Bruneval,Fabien and Neaton,Jeffrey B. }, title = {An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation}, journal = { J. Chem. Phys. }, volume = {146}, number = {19}, pages = {194108}, year = {2017}, doi = {10.1063/1.4983126}, URL = { https://doi.org/10.1063/1.4983126}, eprint = { https://doi.org/10.1063/1.4983126} } @article{Holzer_2018, author = {Holzer,Christof and Klopper,Wim }, title = {Communication: A hybrid Bethe–Salpeter/time-dependent density-functional-theory approach for excitation energies}, journal = { J. Chem. Phys. }, volume = {149}, number = {10}, pages = {101101}, year = {2018}, doi = {10.1063/1.5051028}, URL = { https://doi.org/10.1063/1.5051028}, eprint = { https://doi.org/10.1063/1.5051028} } %%% BSE correlation energy @article{Olsen_2014, author = {Olsen,Thomas and Thygesen,Kristian S. }, title = {Static correlation beyond the random phase approximation: Dissociating H2 with the Bethe-Salpeter equation and time-dependent GW}, journal = { J. Chem. Phys. }, volume = {140}, number = {16}, pages = {164116}, year = {2014}, doi = {10.1063/1.4871875}, URL = { https://doi.org/10.1063/1.4871875}, eprint = { https://doi.org/10.1063/1.4871875} } @article{Holzer_2018, author = {Holzer,Christof and Gui,Xin and Harding,Michael E. and Kresse,Georg and Helgaker,Trygve and Klopper,Wim }, title = {Bethe–Salpeter correlation energies of atoms and molecules}, journal = { J. Chem. Phys. }, volume = {149}, number = {14}, pages = {144106}, year = {2018}, doi = {10.1063/1.5047030}, URL = { https://doi.org/10.1063/1.5047030}, eprint = { https://doi.org/10.1063/1.5047030} } @Article{Li_2020, title={{Ground-state correlation energy of beryllium dimer by the Bethe-Salpeter equation}}, author={Jing Li and Ivan Duchemin and Xavier Blase and Valerio Olevano}, journal={SciPost Phys.}, volume={8}, issue={2}, pages={20}, year={2020}, publisher={SciPost}, doi={10.21468/SciPostPhys.8.2.020}, url={https://scipost.org/10.21468/SciPostPhys.8.2.020}, } @Article{Loos_2020, title={{ Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies }}, author={ Pierre-François Loos and Anthony Scemama and Ivan Duchemin and Denis Jacquemin and Xavier Blase}, journal={}, volume={}, issue={}, pages={}, year={2020} } %%% Multi-reference systems, conical intersections .. @article{Kaczmarski_2010, title = {Diabatic states of a photoexcited retinal chromophore from ab initio many-body perturbation theory}, author = {Kaczmarski, Marcin S. and Ma, Yuchen and Rohlfing, Michael}, journal = {Phys. Rev. B}, volume = {81}, issue = {11}, pages = {115433}, numpages = {9}, year = {2010}, month = {Mar}, publisher = {American Physical Society}, doi = {10.1103/PhysRevB.81.115433}, url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115433} }