1391 lines
50 KiB
BibTeX
1391 lines
50 KiB
BibTeX
%% This BibTeX bibliography file was created using BibDesk.
|
||
%% http://bibdesk.sourceforge.net/
|
||
|
||
%% Created for Pierre-Francois Loos at 2020-04-16 22:33:55 +0200
|
||
|
||
|
||
%% Saved with string encoding Unicode (UTF-8)
|
||
|
||
|
||
|
||
@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,
|
||
Author = {van der Horst, J.-W. and Bobbert, P. A. and Michels, M. A. J. and Brocks, G. and Kelly, P. J.},
|
||
Date-Added = {2020-04-16 22:26:21 +0200},
|
||
Date-Modified = {2020-04-16 22:26:21 +0200},
|
||
Doi = {10.1103/PhysRevLett.83.4413},
|
||
Issue = {21},
|
||
Journal = {Phys. Rev. Lett.},
|
||
Month = {Nov},
|
||
Numpages = {0},
|
||
Pages = {4413--4416},
|
||
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},
|
||
Doi = {10.1103/PhysRevLett.80.4510},
|
||
Issue = {20},
|
||
Journal = {Phys. Rev. Lett.},
|
||
Month = {May},
|
||
Numpages = {0},
|
||
Pages = {4510--4513},
|
||
Publisher = {American Physical Society},
|
||
Title = {Ab Initio Calculation of Excitonic Effects in the Optical Spectra of Semiconductors},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.80.4510},
|
||
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},
|
||
Volume = {49},
|
||
Year = {1982},
|
||
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},
|
||
Year = {1984},
|
||
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},
|
||
Year = {1988},
|
||
Bdsk-Url-1 = {https://dx.doi.org/10.1007/BF02725962}}
|
||
|
||
@article{Jacquemin_2015a,
|
||
Author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
|
||
Date-Added = {2020-04-16 20:53:30 +0200},
|
||
Date-Modified = {2020-04-16 20:53:32 +0200},
|
||
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{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,
|
||
Author = {Behnam Farid},
|
||
Editor = {N.H. March},
|
||
Publisher = {Imperial College Press, London},
|
||
Title = {Electron Correlation in the Solid State - Chapter 3},
|
||
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{Perdew_1983,
|
||
title = {Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities},
|
||
author = {Perdew, John P. and Levy, Mel},
|
||
journal = {Phys. Rev. Lett.},
|
||
volume = {51},
|
||
issue = {20},
|
||
pages = {1884--1887},
|
||
numpages = {0},
|
||
year = {1983},
|
||
month = {Nov},
|
||
publisher = {American Physical Society},
|
||
doi = {10.1103/PhysRevLett.51.1884},
|
||
url = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1884}
|
||
}
|
||
|
||
@article{Sham_1983,
|
||
title = {Density-Functional Theory of the Energy Gap},
|
||
author = {Sham, L. J. and Schl\"uter, M.},
|
||
journal = {Phys. Rev. Lett.},
|
||
volume = {51},
|
||
issue = {20},
|
||
pages = {1888--1891},
|
||
numpages = {0},
|
||
year = {1983},
|
||
month = {Nov},
|
||
publisher = {American Physical Society},
|
||
doi = {10.1103/PhysRevLett.51.1888},
|
||
url = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1888}
|
||
}
|
||
|
||
@article{Hybertsen_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}}
|
||
|
||
@article{Ary98,
|
||
Author = {F Aryasetiawan and O Gunnarsson},
|
||
Doi = {10.1088/0034-4885/61/3/002},
|
||
Journal = {Rep. Prog. Phys.},
|
||
Month = {mar},
|
||
Number = {3},
|
||
Pages = {237--312},
|
||
Publisher = {{IOP} Publishing},
|
||
Title = {{The GW method}},
|
||
Url = {https://doi.org/10.1088%2F0034-4885%2F61%2F3%2F002},
|
||
Volume = {61},
|
||
Year = 1998,
|
||
Bdsk-Url-1 = {https://doi.org/10.1088%2F0034-4885%2F61%2F3%2F002},
|
||
Bdsk-Url-2 = {https://doi.org/10.1088/0034-4885/61/3/002}}
|
||
|
||
@article{Northrup_1991,
|
||
title = {Many-body Calculation of the Surface-State Energies for Si(111)2\ifmmode\times\else\texttimes\fi{}1},
|
||
author = {Northrup, John E. and Hybertsen, Mark S. and Louie, Steven G.},
|
||
journal = {Phys. Rev. Lett.},
|
||
volume = {66},
|
||
issue = {4},
|
||
pages = {500--503},
|
||
numpages = {0},
|
||
year = {1991},
|
||
month = {Jan},
|
||
publisher = {American Physical Society},
|
||
doi = {10.1103/PhysRevLett.66.500},
|
||
url = {https://link.aps.org/doi/10.1103/PhysRevLett.66.500}
|
||
}
|
||
|
||
@article{Blase_1994,
|
||
title = {Self-Energy Effects on the Surface-State Energies of H-Si(111)1\ifmmode\times\else\texttimes\fi{}1},
|
||
author = {Blase, X. and Zhu, Xuejun and Louie, Steven G.},
|
||
journal = {Phys. Rev. B},
|
||
volume = {49},
|
||
issue = {7},
|
||
pages = {4973--4980},
|
||
numpages = {0},
|
||
year = {1994},
|
||
month = {Feb},
|
||
publisher = {American Physical Society},
|
||
doi = {10.1103/PhysRevB.49.4973},
|
||
url = {https://link.aps.org/doi/10.1103/PhysRevB.49.4973}
|
||
}
|
||
|
||
@article{Blase_1995,
|
||
title = {Quasiparticle Band Structure of Bulk Hexagonal Boron Nitride and Related Systems},
|
||
author = {Blase, X. and Rubio, Angel and Louie, Steven G. and Cohen, Marvin L.},
|
||
journal = {Phys. Rev. B},
|
||
volume = {51},
|
||
issue = {11},
|
||
pages = {6868--6875},
|
||
numpages = {0},
|
||
year = {1995},
|
||
month = {Mar},
|
||
publisher = {American Physical Society},
|
||
doi = {10.1103/PhysRevB.51.6868},
|
||
url = {https://link.aps.org/doi/10.1103/PhysRevB.51.6868}
|
||
}
|
||
|
||
@article{Rohlfing_1995,
|
||
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},
|
||
author = {Rohlfing, Michael and Kr{\"u}ger, Peter and Pollmann, Johannes},
|
||
journal = {Phys. Rev. B},
|
||
volume = {52},
|
||
issue = {3},
|
||
pages = {1905--1917},
|
||
numpages = {0},
|
||
year = {1995},
|
||
month = {Jul},
|
||
publisher = {American Physical Society},
|
||
doi = {10.1103/PhysRevB.52.1905},
|
||
url = {https://link.aps.org/doi/10.1103/PhysRevB.52.1905}
|
||
}
|
||
|
||
@article{Verdozzi_1995,
|
||
title = {Evaluation of $\mathit{GW}$ Approximations for the Self-Energy of a Hubbard Cluster},
|
||
author = {Verdozzi, C. and Godby, R. W. and Holloway, S.},
|
||
journal = {Phys. Rev. Lett.},
|
||
volume = {74},
|
||
issue = {12},
|
||
pages = {2327--2330},
|
||
numpages = {0},
|
||
year = {1995},
|
||
month = {Mar},
|
||
publisher = {American Physical Society},
|
||
doi = {10.1103/PhysRevLett.74.2327},
|
||
url = {https://link.aps.org/doi/10.1103/PhysRevLett.74.2327}
|
||
}
|
||
@article{Campillo_1999,
|
||
title = {Inelastic Lifetimes of Hot Electrons in Real Metals},
|
||
author = {Campillo, I. and Pitarke, J. M. and Rubio, A. and Zarate, E. and Echenique, P. M.},
|
||
journal = {Phys. Rev. Lett.},
|
||
volume = {83},
|
||
issue = {11},
|
||
pages = {2230--2233},
|
||
numpages = {0},
|
||
year = {1999},
|
||
month = {Sep},
|
||
publisher = {American Physical Society},
|
||
doi = {10.1103/PhysRevLett.83.2230},
|
||
url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.2230}
|
||
}
|
||
|
||
@article{Onida_2002,
|
||
Author = {Onida, Giovanni and Reining, Lucia and Rubio, Angel},
|
||
Date-Modified = {2020-04-16 22:28:27 +0200},
|
||
Doi = {10.1103/RevModPhys.74.601},
|
||
Issue = {2},
|
||
Journal = {Rev. Mod. Phys.},
|
||
Month = {Jun},
|
||
Numpages = {0},
|
||
Pages = {601--659},
|
||
Publisher = {American Physical Society},
|
||
Title = {Electronic excitations: density-functional versus many-body Green's-function approaches},
|
||
Url = {https://link.aps.org/doi/10.1103/RevModPhys.74.601},
|
||
Volume = {74},
|
||
Year = {2002},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/RevModPhys.74.601},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/RevModPhys.74.601}}
|
||
|
||
@book{ReiningBook,
|
||
Author = {Martin, R.M. and Reining, L. and Ceperley, D.M.},
|
||
Isbn = {0521871506},
|
||
Publisher = {Cambridge University Press},
|
||
Title = {Interacting Electrons: Theory and Computational Approaches},
|
||
Year = {2016}}
|
||
|
||
@article{Golze_2019rev,
|
||
Author = {Golze, Dorothea and Dvorak, Marc and Rinke, Patrick},
|
||
Doi = {10.3389/fchem.2019.00377},
|
||
Issn = {2296-2646},
|
||
Journal = {Front. Chem.},
|
||
Pages = {377},
|
||
Title = {The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy},
|
||
Url = {https://www.frontiersin.org/article/10.3389/fchem.2019.00377},
|
||
Volume = {7},
|
||
Year = {2019},
|
||
Bdsk-Url-1 = {https://www.frontiersin.org/article/10.3389/fchem.2019.00377},
|
||
Bdsk-Url-2 = {https://doi.org/10.3389/fchem.2019.00377}}
|
||
|
||
@article{Salpeter_1951,
|
||
Author = {Salpeter, E. E. and Bethe, H. A.},
|
||
Doi = {10.1103/PhysRev.84.1232},
|
||
Issue = {6},
|
||
Journal = {Phys. Rev.},
|
||
Month = {Dec},
|
||
Numpages = {0},
|
||
Pages = {1232--1242},
|
||
Publisher = {American Physical Society},
|
||
Title = {A Relativistic Equation for Bound-State Problems},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRev.84.1232},
|
||
Volume = {84},
|
||
Year = {1951},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRev.84.1232},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRev.84.1232}}
|
||
|
||
@article{Sham_1966,
|
||
Author = {Sham, L. J. and Rice, T. M.},
|
||
Doi = {10.1103/PhysRev.144.708},
|
||
Issue = {2},
|
||
Journal = {Phys. Rev.},
|
||
Month = {Apr},
|
||
Numpages = {0},
|
||
Pages = {708--714},
|
||
Publisher = {American Physical Society},
|
||
Title = {Many-Particle Derivation of the Effective-Mass Equation for the Wannier Exciton},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRev.144.708},
|
||
Volume = {144},
|
||
Year = {1966},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRev.144.708},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRev.144.708}}
|
||
|
||
@article{Onida_1995,
|
||
Author = {Onida, Giovanni and Reining, Lucia and Godby, R. W. and Del Sole, R. and Andreoni, Wanda},
|
||
Doi = {10.1103/PhysRevLett.75.818},
|
||
Issue = {5},
|
||
Journal = {Phys. Rev. Lett.},
|
||
Month = {Jul},
|
||
Numpages = {0},
|
||
Pages = {818--821},
|
||
Publisher = {American Physical Society},
|
||
Title = {Ab Initio Calculations of the Quasiparticle and Absorption Spectra of Clusters: The Sodium Tetramer},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.75.818},
|
||
Volume = {75},
|
||
Year = {1995},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.75.818},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.75.818}}
|
||
|
||
@article{Albrecht_1997,
|
||
Author = {Albrecht, Stefan and Onida, Giovanni and Reining, Lucia},
|
||
Date-Modified = {2020-04-16 22:26:08 +0200},
|
||
Doi = {10.1103/PhysRevB.55.10278},
|
||
Issue = {16},
|
||
Journal = {Phys. Rev. B},
|
||
Month = {Apr},
|
||
Numpages = {0},
|
||
Pages = {10278--10281},
|
||
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},
|
||
Volume = {55},
|
||
Year = {1997},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.55.10278},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.55.10278}}
|
||
|
||
@article{Rohlfing_1998,
|
||
Author = {Rohlfing, Michael and Louie, Steven G.},
|
||
Doi = {10.1103/PhysRevLett.80.3320},
|
||
Issue = {15},
|
||
Journal = {Phys. Rev. Lett.},
|
||
Month = {Apr},
|
||
Numpages = {0},
|
||
Pages = {3320--3323},
|
||
Publisher = {American Physical Society},
|
||
Title = {Excitonic Effects and the Optical Absorption Spectrum of Hydrogenated Si Clusters},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.80.3320},
|
||
Volume = {80},
|
||
Year = {1998},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.80.3320},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.80.3320}}
|
||
|
||
@article{Benedict_1998,
|
||
Author = {Benedict, Lorin X. and Shirley, Eric L. and Bohn, Robert B.},
|
||
Doi = {10.1103/PhysRevLett.80.4514},
|
||
Issue = {20},
|
||
Journal = {Phys. Rev. Lett.},
|
||
Month = {May},
|
||
Numpages = {0},
|
||
Pages = {4514--4517},
|
||
Publisher = {American Physical Society},
|
||
Title = {Optical Absorption of Insulators and the Electron-Hole Interaction: An Ab Initio Calculation},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.80.4514},
|
||
Volume = {80},
|
||
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}}
|
||
|
||
@article{Rohlfing_1999,
|
||
Author = {Rohlfing, Michael and Louie, Steven G.},
|
||
Doi = {10.1103/PhysRevLett.83.856},
|
||
Issue = {4},
|
||
Journal = {Phys. Rev. Lett.},
|
||
Month = {Jul},
|
||
Numpages = {0},
|
||
Pages = {856--859},
|
||
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}}
|
||
|
||
@article{Rohlfing_2000,
|
||
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}}
|
||
|
||
@article{Delerue_2000,
|
||
Author = {Delerue, C. and Lannoo, M. and Allan, G.},
|
||
Doi = {10.1103/PhysRevLett.84.2457},
|
||
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}}
|
||
|
||
@article{Bruneval_2015,
|
||
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}}
|
||
|
||
@article{Jacquemin_2015b,
|
||
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}}
|
||
|
||
@article{Jacquemin_2017,
|
||
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}}
|
||
|
||
@article{Dreuw_2004,
|
||
Author = {Dreuw, Andreas and Head-Gordon, Martin},
|
||
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}}
|
||
|
||
@article{Blase_2011,
|
||
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}}
|
||
|
||
@article{Ziaei_2016,
|
||
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}}
|
||
|
||
@article{Hummer_2004,
|
||
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}}
|
||
|
||
@article{Cudazzo_2010,
|
||
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}}
|
||
|
||
@article{Sharifzadeh_2013,
|
||
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}}
|
||
|
||
@article{Cudazzo_2013,
|
||
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}}
|
||
|
||
@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.},
|
||
Doi = {10.1063/1.3065669},
|
||
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},
|
||
Volume = {130},
|
||
Year = {2009},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.3065669}}
|
||
|
||
@article{Ma_2009,
|
||
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}}
|
||
|
||
@article{Zhang_2013,
|
||
Author = {Zhang,Du and Steinmann,Stephan N. and Yang,Weitao},
|
||
Doi = {10.1063/1.4824907},
|
||
Eprint = {https://doi.org/10.1063/1.4824907},
|
||
Journal = {J. Chem. Phys.},
|
||
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},
|
||
Volume = {139},
|
||
Year = {2013},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.4824907}}
|
||
|
||
@article{Rebolini_2016,
|
||
Author = {Rebolini,Elisa and Toulouse,Julien},
|
||
Doi = {10.1063/1.4943003},
|
||
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},
|
||
Volume = {144},
|
||
Year = {2016},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.4943003}}
|
||
|
||
@article{Olevano_2019,
|
||
Author = {Olevano,Valerio and Toulouse,Julien and Schuck,Peter},
|
||
Doi = {10.1063/1.5080330},
|
||
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}}
|
||
|
||
@article{Olovsson_2009,
|
||
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}}
|
||
|
||
@article{Vinson_2011,
|
||
Author = {Vinson, J. and Rehr, J. J. and Kas, J. J. and Shirley, E. L.},
|
||
Doi = {10.1103/PhysRevB.83.115106},
|
||
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}}
|
||
|
||
@article{Almlof_1991,
|
||
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.},
|
||
Author = {Jan Alml{\"{o}}f},
|
||
Doi = {https://doi.org/10.1016/0009-2614(91)80078-C},
|
||
Issn = {0009-2614},
|
||
Journal = {Chem. Phys. Lett.},
|
||
Number = {4},
|
||
Pages = {319 - 320},
|
||
Title = {Elimination of energy denominators in M{\o}ller---Plesset perturbation theory by a Laplace transform approach},
|
||
Url = {http://www.sciencedirect.com/science/article/pii/000926149180078C},
|
||
Volume = {181},
|
||
Year = {1991},
|
||
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/000926149180078C},
|
||
Bdsk-Url-2 = {https://doi.org/10.1016/0009-2614(91)80078-C}}
|
||
|
||
@article{Haser_1992,
|
||
Author = {H{\"{a}}ser,Marco and Alml{\"{o}}f,Jan},
|
||
Doi = {10.1063/1.462485},
|
||
Eprint = {https://doi.org/10.1063/1.462485},
|
||
Journal = {J. Chem. Phys.},
|
||
Number = {1},
|
||
Pages = {489-494},
|
||
Title = {Laplace transform techniques in M{\o}ller--Plesset perturbation theory},
|
||
Url = {https://doi.org/10.1063/1.462485},
|
||
Volume = {96},
|
||
Year = {1992},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.462485}}
|
||
|
||
@article{Rojas_1995,
|
||
Author = {Rojas, H. N. and Godby, R. W. and Needs, R. J.},
|
||
Doi = {10.1103/PhysRevLett.74.1827},
|
||
Issue = {10},
|
||
Journal = {Phys. Rev. Lett.},
|
||
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},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.74.1827},
|
||
Volume = {74},
|
||
Year = {1995},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.74.1827},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.74.1827}}
|
||
|
||
@article{Walker_2006,
|
||
Author = {Walker, Brent and Saitta, A. Marco and Gebauer, Ralph and Baroni, Stefano},
|
||
Doi = {10.1103/PhysRevLett.96.113001},
|
||
Issue = {11},
|
||
Journal = {Phys. Rev. Lett.},
|
||
Month = {Mar},
|
||
Numpages = {4},
|
||
Pages = {113001},
|
||
Publisher = {American Physical Society},
|
||
Title = {Efficient Approach to Time-Dependent Density-Functional Perturbation Theory for Optical Spectroscopy},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.96.113001},
|
||
Volume = {96},
|
||
Year = {2006},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.96.113001},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.96.113001}}
|
||
|
||
@article{Bruneval_2008,
|
||
Author = {Bruneval, Fabien and Gonze, Xavier},
|
||
Doi = {10.1103/PhysRevB.78.085125},
|
||
Issue = {8},
|
||
Journal = {Phys. Rev. B},
|
||
Month = {Aug},
|
||
Numpages = {9},
|
||
Pages = {085125},
|
||
Publisher = {American Physical Society},
|
||
Title = {Accurate $GW$ self-energies in a plane-wave basis using only a few empty states: Towards large systems},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevB.78.085125},
|
||
Volume = {78},
|
||
Year = {2008},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.78.085125},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.78.085125}}
|
||
|
||
@article{Fuchs_2008,
|
||
Author = {Fuchs, F. and R\"odl, C. and Schleife, A. and Bechstedt, F.},
|
||
Doi = {10.1103/PhysRevB.78.085103},
|
||
Issue = {8},
|
||
Journal = {Phys. Rev. B},
|
||
Month = {Aug},
|
||
Numpages = {13},
|
||
Pages = {085103},
|
||
Publisher = {American Physical Society},
|
||
Title = {Efficient $\mathcal{O}({N}^{2})$ approach to solve the Bethe-Salpeter equation for excitonic bound states},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevB.78.085103},
|
||
Volume = {78},
|
||
Year = {2008},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.78.085103},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.78.085103}}
|
||
|
||
@article{Giustino_2010,
|
||
Author = {Giustino, Feliciano and Cohen, Marvin L. and Louie, Steven G.},
|
||
Doi = {10.1103/PhysRevB.81.115105},
|
||
Issue = {11},
|
||
Journal = {Phys. Rev. B},
|
||
Month = {Mar},
|
||
Numpages = {17},
|
||
Pages = {115105},
|
||
Publisher = {American Physical Society},
|
||
Title = {GW method with the self-consistent Sternheimer equation},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115105},
|
||
Volume = {81},
|
||
Year = {2010},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.81.115105},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.81.115105}}
|
||
|
||
@article{Umari_2010,
|
||
Author = {Umari, P. and Stenuit, Geoffrey and Baroni, Stefano},
|
||
Doi = {10.1103/PhysRevB.81.115104},
|
||
Issue = {11},
|
||
Journal = {Phys. Rev. B},
|
||
Month = {Mar},
|
||
Numpages = {5},
|
||
Pages = {115104},
|
||
Publisher = {American Physical Society},
|
||
Title = {GW quasiparticle spectra from occupied states only},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115104},
|
||
Volume = {81},
|
||
Year = {2010},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.81.115104},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.81.115104}}
|
||
|
||
@article{Ljungberg_2015,
|
||
Author = {Ljungberg, M. P. and Koval, P. and Ferrari, F. and Foerster, D. and S\'anchez-Portal, D.},
|
||
Doi = {10.1103/PhysRevB.92.075422},
|
||
Issue = {7},
|
||
Journal = {Phys. Rev. B},
|
||
Month = {Aug},
|
||
Numpages = {18},
|
||
Pages = {075422},
|
||
Publisher = {American Physical Society},
|
||
Title = {Cubic-scaling iterative solution of the Bethe-Salpeter equation for finite systems},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevB.92.075422},
|
||
Volume = {92},
|
||
Year = {2015},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.92.075422},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.92.075422}}
|
||
|
||
@article{Seeger_1977,
|
||
Author = {Seeger,Rolf and Pople,John A.},
|
||
Doi = {10.1063/1.434318},
|
||
Eprint = {https://doi.org/10.1063/1.434318},
|
||
Journal = {J. Chem. Phys.},
|
||
Number = {7},
|
||
Pages = {3045-3050},
|
||
Title = {Self‐consistent molecular orbital methods. XVIII. Constraints and stability in Hartree--Fock theory},
|
||
Url = {https://doi.org/10.1063/1.434318},
|
||
Volume = {66},
|
||
Year = {1977},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.434318}}
|
||
|
||
@article{Bauernschmitt_1996,
|
||
Author = {Bauernschmitt,R{\"u}diger and Ahlrichs,Reinhart},
|
||
Doi = {10.1063/1.471637},
|
||
Eprint = {https://doi.org/10.1063/1.471637},
|
||
Journal = {J. Chem. Phys.},
|
||
Number = {22},
|
||
Pages = {9047-9052},
|
||
Title = {Stability analysis for solutions of the closed shell Kohn--Sham equation},
|
||
Url = {https://doi.org/10.1063/1.471637},
|
||
Volume = {104},
|
||
Year = {1996},
|
||
Bdsk-Url-1 = {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},
|
||
Doi = {10.1063/1.3656734},
|
||
Eprint = {https://doi.org/10.1063/1.3656734},
|
||
Journal = {J. Chem. Phys.},
|
||
Number = {15},
|
||
Pages = {151103},
|
||
Title = {Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals},
|
||
Url = {https://doi.org/10.1063/1.3656734},
|
||
Volume = {135},
|
||
Year = {2011},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.3656734}}
|
||
|
||
@article{Jacquemin_2017b,
|
||
Author = {Jacquemin, Denis and Duchemin, Ivan and Blondel, Aymeric and Blase, Xavier},
|
||
Doi = {10.1021/acs.jctc.6b01169},
|
||
Eprint = {https://doi.org/10.1021/acs.jctc.6b01169},
|
||
Journal = {J. Chem. Theory Comput.},
|
||
Note = {PMID: 28107000},
|
||
Number = {2},
|
||
Pages = {767-783},
|
||
Title = {Benchmark of Bethe-Salpeter for Triplet Excited-States},
|
||
Url = {https://doi.org/10.1021/acs.jctc.6b01169},
|
||
Volume = {13},
|
||
Year = {2017},
|
||
Bdsk-Url-1 = {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.},
|
||
Doi = {10.1063/1.4983126},
|
||
Eprint = {https://doi.org/10.1063/1.4983126},
|
||
Journal = {J. Chem. Phys.},
|
||
Number = {19},
|
||
Pages = {194108},
|
||
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},
|
||
Url = {https://doi.org/10.1063/1.4983126},
|
||
Volume = {146},
|
||
Year = {2017},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.4983126}}
|
||
|
||
@article{Holzer_2018a,
|
||
Author = {Holzer,Christof and Klopper,Wim},
|
||
Date-Modified = {2020-04-16 20:50:52 +0200},
|
||
Doi = {10.1063/1.5051028},
|
||
Eprint = {https://doi.org/10.1063/1.5051028},
|
||
Journal = {J. Chem. Phys.},
|
||
Number = {10},
|
||
Pages = {101101},
|
||
Title = {Communication: A hybrid Bethe--Salpeter/time-dependent density-functional-theory approach for excitation energies},
|
||
Url = {https://doi.org/10.1063/1.5051028},
|
||
Volume = {149},
|
||
Year = {2018},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.5051028}}
|
||
|
||
@article{Olsen_2014,
|
||
Author = {Olsen,Thomas and Thygesen,Kristian S.},
|
||
Doi = {10.1063/1.4871875},
|
||
Eprint = {https://doi.org/10.1063/1.4871875},
|
||
Journal = {J. Chem. Phys.},
|
||
Number = {16},
|
||
Pages = {164116},
|
||
Title = {Static correlation beyond the random phase approximation: Dissociating H2 with the Bethe-Salpeter equation and time-dependent GW},
|
||
Url = {https://doi.org/10.1063/1.4871875},
|
||
Volume = {140},
|
||
Year = {2014},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.4871875}}
|
||
|
||
@article{Holzer_2018b,
|
||
Author = {Holzer, Christof and Gui, Xin and Harding, Michael E. and Kresse, Georg and Helgaker, Trygve and Klopper, Wim},
|
||
Date-Modified = {2020-04-16 20:51:13 +0200},
|
||
Doi = {10.1063/1.5047030},
|
||
Eprint = {https://doi.org/10.1063/1.5047030},
|
||
Journal = {J. Chem. Phys.},
|
||
Number = {14},
|
||
Pages = {144106},
|
||
Title = {Bethe-Salpeter correlation energies of atoms and molecules},
|
||
Url = {https://doi.org/10.1063/1.5047030},
|
||
Volume = {149},
|
||
Year = {2018},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.5047030}}
|
||
|
||
@article{Li_2020,
|
||
Author = {Jing Li and Ivan Duchemin and Xavier Blase and Valerio Olevano},
|
||
Doi = {10.21468/SciPostPhys.8.2.020},
|
||
Issue = {2},
|
||
Journal = {SciPost Phys.},
|
||
Pages = {20},
|
||
Publisher = {SciPost},
|
||
Title = {{Ground-state correlation energy of beryllium dimer by the Bethe-Salpeter equation}},
|
||
Url = {https://scipost.org/10.21468/SciPostPhys.8.2.020},
|
||
Volume = {8},
|
||
Year = {2020},
|
||
Bdsk-Url-1 = {https://scipost.org/10.21468/SciPostPhys.8.2.020},
|
||
Bdsk-Url-2 = {https://doi.org/10.21468/SciPostPhys.8.2.020}}
|
||
|
||
@article{Loos_2020,
|
||
Author = {Pierre-Fran{\c c}ois Loos and Anthony Scemama and Ivan Duchemin and Denis Jacquemin and Xavier Blase},
|
||
Title = {{ Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies }},
|
||
Year = {2020}}
|
||
|
||
@article{Kaczmarski_2010,
|
||
Author = {Kaczmarski, Marcin S. and Ma, Yuchen and Rohlfing, Michael},
|
||
Doi = {10.1103/PhysRevB.81.115433},
|
||
Issue = {11},
|
||
Journal = {Phys. Rev. B},
|
||
Month = {Mar},
|
||
Numpages = {9},
|
||
Pages = {115433},
|
||
Publisher = {American Physical Society},
|
||
Title = {Diabatic states of a photoexcited retinal chromophore from ab initio many-body perturbation theory},
|
||
Url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115433},
|
||
Volume = {81},
|
||
Year = {2010},
|
||
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.81.115433},
|
||
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.81.115433}}
|
||
|
||
|
||
@article{Rangel_2016,
|
||
author = {Rangel, Tonatiuh and Hamed, Samia M. and Bruneval, Fabien and Neaton, Jeffrey B.},
|
||
title = {Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes},
|
||
journal = {J. Chem. Theory Comput. },
|
||
volume = {12},
|
||
number = {6},
|
||
pages = {2834-2842},
|
||
year = {2016},
|
||
doi = {10.1021/acs.jctc.6b00163},
|
||
note ={PMID: 27123935},
|
||
URL = { https://doi.org/10.1021/acs.jctc.6b00163},
|
||
eprint = { https://doi.org/10.1021/acs.jctc.6b00163}
|
||
}
|
||
|
||
|
||
@article{Bruneval_2013,
|
||
author = {Bruneval, Fabien and Marques, Miguel A. L.},
|
||
title = {Benchmarking the Starting Points of the GW Approximation for Molecules},
|
||
journal = {J. Chem. Theory Comput. },
|
||
volume = {9},
|
||
number = {1},
|
||
pages = {324-329},
|
||
year = {2013},
|
||
doi = {10.1021/ct300835h},
|
||
note ={PMID: 26589035},
|
||
URL = { https://doi.org/10.1021/ct300835h},
|
||
eprint = { https://doi.org/10.1021/ct300835h}
|
||
}
|
||
|
||
|
||
@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 Körzdörfer, Thomas and Marom, Noa},
|
||
title = {Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods},
|
||
journal = {J. Chem. Theory Comput. },
|
||
volume = {12},
|
||
number = {2},
|
||
pages = {615-626},
|
||
year = {2016},
|
||
doi = {10.1021/acs.jctc.5b00871},
|
||
note ={PMID: 26731609},
|
||
URL = { https://doi.org/10.1021/acs.jctc.5b00871},
|
||
eprint = { https://doi.org/10.1021/acs.jctc.5b00871}
|
||
}
|
||
|
||
|
||
|
||
@article{Kaplan_2016,
|
||
author = {Kaplan, F. and Harding, M. E. and Seiler, C. and Weigend, F. and Evers, F. and van Setten, M. J.},
|
||
title = {Quasi-Particle Self-Consistent GW for Molecules},
|
||
journal = {J. Chem. Theory Comput. },
|
||
volume = {12},
|
||
number = {6},
|
||
pages = {2528-2541},
|
||
year = {2016},
|
||
doi = {10.1021/acs.jctc.5b01238},
|
||
note ={PMID: 27168352},
|
||
URL = { https://doi.org/10.1021/acs.jctc.5b01238},
|
||
eprint = { https://doi.org/10.1021/acs.jctc.5b01238}
|
||
}
|
||
|
||
|
||
@article{Caruso_2016,
|
||
author = {Caruso, Fabio and Dauth, Matthias and van Setten, Michiel J. and Rinke, Patrick},
|
||
title = {Benchmark of GW Approaches for the GW100 Test Set},
|
||
journal = {Journal of Chemical Theory and Computation},
|
||
volume = {12},
|
||
number = {10},
|
||
pages = {5076-5087},
|
||
year = {2016},
|
||
doi = {10.1021/acs.jctc.6b00774},
|
||
note ={PMID: 27631585},
|
||
URL = { https://doi.org/10.1021/acs.jctc.6b00774},
|
||
eprint = { https://doi.org/10.1021/acs.jctc.6b00774}
|
||
}
|
||
|
||
|
||
@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}
|
||
}
|
||
|
||
|
||
@article{Blase_2011b,
|
||
author = {Blase,X. and Attaccalite,C. },
|
||
title = {Charge-Transfer Excitations in Molecular Donor-Acceptor Complexes within the Many-Body Bethe-Salpeter Approach},
|
||
journal = {Appl. Phys. Lett. },
|
||
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{Stein_2009,
|
||
author = {Stein, Tamar and Kronik, Leeor and Baer, Roi},
|
||
title = {Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory},
|
||
journal = {J. Am. Chem. Soc.},
|
||
volume = {131},
|
||
number = {8},
|
||
pages = {2818-2820},
|
||
year = {2009},
|
||
doi = {10.1021/ja8087482},
|
||
note ={PMID: 19239266},
|
||
URL = { https://doi.org/10.1021/ja8087482},
|
||
eprint = { https://doi.org/10.1021/ja8087482}
|
||
}
|
||
|
||
|
||
|
||
|