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@article { DiSabatino_2019 ,
Author = {S. {Di Sabatino} and J. A. Berger and P. Romaniello},
Date-Added = {2020-05-16 09:03:04 +0200},
Date-Modified = {2020-05-16 09:03:04 +0200},
Doi = {10.1021/acs.jctc.9b00427},
Journal = {J. Chem. Theory Comput.},
Pages = {5080},
Title = {Many-Body Effective Energy Theory: Photoemission at Strong Correlation},
Volume = {15},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00427}}
@article { Dahlen_2006 ,
Author = {Dahlen, Nils Erik and {van Leeuwen}, Robert and {von Barth}, Ulf},
Date-Added = {2020-05-16 08:59:01 +0200},
Date-Modified = {2020-05-16 08:59:01 +0200},
Doi = {10.1103/PhysRevA.73.012511},
File = {/Users/loos/Zotero/storage/CIIYSNSE/Dahlen_2006.pdf},
Issn = {1050-2947, 1094-1622},
Journal = {Phys. Rev. A},
Language = {en},
Month = jan,
Number = {1},
Pages = {012511},
Title = {Variational Energy Functionals of the {{Green}} Function and of the Density Tested on Molecules},
Volume = {73},
Year = {2006},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevA.73.012511}}
@article { Bruneval_2016 ,
Author = {Bruneval, Fabien and Rangel, Tonatiuh and Hamed, Samia M. and Shao, Meiyue and Yang, Chao and Neaton, Jeffrey B.},
Date-Added = {2020-05-16 08:58:40 +0200},
Date-Modified = {2020-05-16 08:58:40 +0200},
Doi = {10.1016/j.cpc.2016.06.019},
File = {/Users/loos/Zotero/storage/CHGLK37T/Bruneval_2016a.pdf},
Issn = {00104655},
Journal = {Comput. Phys. Commun.},
Language = {en},
Month = nov,
Pages = {149--161},
Shorttitle = {Molgw 1},
Title = {Molgw 1: {{Many}}-Body Perturbation Theory Software for Atoms, Molecules, and Clusters},
Volume = {208},
Year = {2016},
Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.cpc.2016.06.019}}
@article { Romaniello_2012 ,
Author = {Romaniello, Pina and Bechstedt, Friedhelm and Reining, Lucia},
Date-Added = {2020-05-16 08:58:04 +0200},
Date-Modified = {2020-05-16 08:58:04 +0200},
Doi = {10.1103/PhysRevB.85.155131},
File = {/Users/loos/Zotero/storage/PLHVA772/Romaniello_2012.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = apr,
Number = {15},
Pages = {155131},
Shorttitle = {Beyond the {{G W}} Approximation},
Title = {Beyond the {{G W}} Approximation: {{Combining}} Correlation Channels},
Volume = {85},
Year = {2012},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.85.155131}}
@article { Romaniello_2009a ,
Author = {Romaniello, P. and Guyot, S. and Reining, L.},
Date-Added = {2020-05-16 08:57:46 +0200},
Date-Modified = {2020-05-16 08:57:51 +0200},
Doi = {10.1063/1.3249965},
File = {/Users/loos/Zotero/storage/WCWVRT3M/Romaniello_2009.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = oct,
Number = {15},
Pages = {154111},
Shorttitle = {The Self-Energy beyond {{GW}}},
Title = {The Self-Energy beyond {{GW}}: {{Local}} and Nonlocal Vertex Corrections},
Volume = {131},
Year = {2009},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.3249965}}
@article { DiSabatino_2015 ,
Author = {Di Sabatino,S. and Berger,J. A. and Reining,L. and Romaniello,P.},
Date-Added = {2020-05-16 08:57:34 +0200},
Date-Modified = {2020-05-16 08:57:34 +0200},
Doi = {10.1063/1.4926327},
Journal = {J. Chem. Phys.},
Number = {2},
Pages = {024108},
Title = {Reduced density-matrix functional theory: Correlation and spectroscopy},
Volume = {143},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4926327}}
@article { DiSabatino_2016 ,
Author = {Di Sabatino, Stefano and Berger, J. A. and Reining, Lucia and Romaniello, Pina},
Date-Added = {2020-05-16 08:57:34 +0200},
Date-Modified = {2020-05-16 08:57:34 +0200},
Doi = {10.1103/PhysRevB.94.155141},
Issn = {2469-9950, 2469-9969},
Journal = {Physical Review B},
Language = {en},
Month = oct,
Number = {15},
Pages = {155141},
Shorttitle = {Photoemission Spectra from Reduced Density Matrices},
Title = {Photoemission Spectra from Reduced Density Matrices: {{The}} Band Gap in Strongly Correlated Systems},
Volume = {94},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.94.155141}}
@article { Tarantino_2017 ,
Author = {Tarantino, Walter and Romaniello, Pina and Berger, J. A. and Reining, Lucia},
Date-Added = {2020-05-16 08:57:25 +0200},
Date-Modified = {2020-05-16 08:57:25 +0200},
Doi = {10.1103/PhysRevB.96.045124},
File = {/Users/loos/Zotero/storage/PE5YGU7F/Romaniello_2017.pdf},
Issn = {2469-9950, 2469-9969},
Journal = {Phys. Rev. B},
Language = {en},
Month = jul,
Number = {4},
Pages = {045124},
Shorttitle = {Self-Consistent {{Dyson}} Equation and Self-Energy Functionals},
Title = {Self-Consistent {{Dyson}} Equation and Self-Energy Functionals: {{An}} Analysis and Illustration on the Example of the {{Hubbard}} Atom},
Volume = {96},
Year = {2017},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.96.045124}}
@article { Tarantino_2018 ,
Author = {Walter Tarantino and Bernardo S Mendoza and Pina Romaniello and J A Berger and Lucia Reining},
Date-Added = {2020-05-16 08:57:25 +0200},
Date-Modified = {2020-05-16 08:57:25 +0200},
Journal = {J. Phys.: Condensed Matter},
Number = {13},
Pages = {135602},
Title = {Many-body perturbation theory and non-perturbative approaches: screened interaction as the key ingredient},
Volume = {30},
Year = {2018}}
@book { Schirmer_2018 ,
Author = {Jochen Schirmer},
Date-Added = {2020-05-16 08:22:42 +0200},
Date-Modified = {2020-05-16 08:22:58 +0200},
Publisher = {Springer},
Title = {Many-Body Methods for Atoms, Molecules and Clusters},
Year = {2018}}
@article { Schirmer_2004d ,
Author = {Schirmer, J. and Trofimov, A. B.},
Date-Added = {2020-05-16 08:22:21 +0200},
Date-Modified = {2020-05-16 08:22:42 +0200},
Doi = {http://dx.doi.org/10.1063/1.1752875},
Journal = {J. Chem. Phys.},
Pages = {11449-11464},
Title = {Intermediate State Representation Approach to Physical Properties of Electronically Excited Molecules},
Url = {http://scitation.aip.org/content/aip/journal/jcp/120/24/10.1063/1.1752875},
Volume = {120},
Year = {2004},
Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/120/24/10.1063/1.1752875},
Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1752875}}
@article { Trofimov_1997b ,
Abstract = {The electronic spectrum of furan is investigated theoretically beyond the previous vertical-electronic description. A polarization propagator method referred to as second-order algebraic-diagrammatic construction (ADC(2)) has been used in the electronic structure calculations. The vibrational excitation accompanying the electronic transitions is described with the aid of a linear electron-vibrational coupling model. The spectral information thereby obtained permits extensive comparison with experiment. The average accuracy of the present method, estimated by comparing adiabatic transition energies, is better than 0.4 eV. Only for the lowest π-π∗ valance transition, V′ ′ ′
Author = {A.B. Trofimov and J. Schirmer},
Date-Added = {2020-05-16 08:21:53 +0200},
Date-Modified = {2020-05-16 08:22:02 +0200},
Doi = {https://doi.org/10.1016/S0301-0104(97)00256-5},
Issn = {0301-0104},
Journal = {Chem. Phys.},
Number = {2},
Pages = {175--190},
Title = {Polarization Propagator Study of Electronic Excitation in key Heterocyclic Molecules II. Furan},
Url = {http://www.sciencedirect.com/science/article/pii/S0301010497002565},
Volume = {224},
Year = {1997},
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0301010497002565},
Bdsk-Url-2 = {https://doi.org/10.1016/S0301-0104(97)00256-5}}
@article { Trofimov_1997 ,
Abstract = {The electronic excitation spectrum of pyrrole is studied using a polarization propagator method referred to as the second-order algebraic-diagrammatic construction (ADC(2)), along with a simple model for vibrational excitation accounting for all totally symmetric modes. The method describes the optical absorption profile of pyrrole with an expected accuracy of 0.2 -- 0.4 eV for the vertical excitation energies. The vibrational analysis provides for detailed additional spectroscopic information. In the singlet spectrum, besides the ns, np and nd (n = 3,4) Rydberg excitations, three π-π∗ valence transitions, V′
Author = {A.B. Trofimov and J. Schirmer},
Date-Added = {2020-05-16 08:21:31 +0200},
Date-Modified = {2020-05-16 08:21:46 +0200},
Doi = {https://doi.org/10.1016/S0301-0104(96)00303-5},
Issn = {0301-0104},
Journal = {Chem. Phys.},
Number = {2},
Pages = {153--170},
Title = {Polarization Propagator Study of Electronic Excitation in key Heterocyclic Molecules I. Pyrrole},
Url = {http://www.sciencedirect.com/science/article/pii/S0301010496003035},
Volume = {214},
Year = {1997},
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0301010496003035},
Bdsk-Url-2 = {https://doi.org/10.1016/S0301-0104(96)00303-5}}
@article { Barth_1995 ,
Abstract = {A recently derived approximation scheme for the polarisation propagator has been applied in a study of discrete K-shell excitations in N2 and CO. The new scheme referred to as second-order algebraic diagrammatic construction (ADC(2)) provides a direct approach to excitation energies and transition moments and gives a consistent second-order and first-order treatment for transitions to singly and doubly excited states, respectively. The essential computational requisite is a Hermitean eigenvalue problem in the space of single and double excitations on the Hartree-Fock ground state. Spin-free decoupled ADC(2) working equations for the singlet-singlet and singlet-triplet transitions have been formulated and employed. As the only additional approximation, the mixing between configurations with a different number of excited core-level electrons has been neglected. The calculated excitation energies of both the core-valence and core-Rydberg transitions are in very good agreement with the experimental data and are distinctly improved with respect to previous theoretical work, including extended configuration interaction treatments. The authors emphasise the accuracy achieved for the oscillator strengths which yield a very satisfactory description for the intensity ratios of the dipole-allowed transitions. The absolute dipole oscillator strengths are in excellent accord with the experimental values of Kay et al. (1977).},
Author = {A. Barth and J. Schirmer},
Date-Added = {2020-05-16 08:20:57 +0200},
Date-Modified = {2020-05-16 08:21:13 +0200},
Doi = {10.1088/0022-3700/18/5/008},
Journal = {J. Phys. B: At. Mol. Phys.},
Month = {mar},
Number = {5},
Pages = {867--885},
Publisher = {{IOP} Publishing},
Title = {Theoretical Core-level Excitation Spectra of N$_2$ and CO by a new Polarisation Propagator Method},
Url = {https://doi.org/10.1088%2F0022-3700%2F18%2F5%2F008},
Volume = {18},
Year = 1995,
Bdsk-Url-1 = {https://doi.org/10.1088%2F0022-3700%2F18%2F5%2F008},
Bdsk-Url-2 = {https://doi.org/10.1088/0022-3700/18/5/008}}
@article { Schirmer_1991 ,
Author = {Jochen Schirmer},
Date-Added = {2020-05-16 08:20:31 +0200},
Date-Modified = {2020-05-16 08:20:38 +0200},
Doi = {10.1103/PhysRevA.43.4647},
Journal = {Phys. Rev. A.},
Pages = {4647--4659},
Title = {Closed-Form Intermediate Representations of Many-Body Propagators and Resolvent Matrices},
Volume = {43},
Year = {1991},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.43.4647}}
@article { Schirmer_1982 ,
Author = {Jochen Schirmer},
Date-Added = {2020-05-16 08:19:54 +0200},
Date-Modified = {2020-05-16 08:20:00 +0200},
Doi = {10.1103/PhysRevA.26.2395},
Journal = PRA,
Pages = {2395--2416},
Title = {Beyond the Random-Phase Approximation: a new Approximation Scheme for the Polarization Propagator},
Volume = 26,
Year = 1982,
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.26.2395}}
2020-05-15 23:36:21 +02:00
@article { Duchemin_2020 ,
Author = {Ivan Duchemin and Xavier Blase},
Date-Added = {2020-05-15 23:27:41 +0200},
Date-Modified = {2020-05-15 23:27:41 +0200},
Journal = {J. Chem. Theory Comput (accepted)},
Title = {Robust Analytic Continuation Approach to Many-Body GW Calculations},
Year = {2020},
Bdsk-Url-1 = {}}
@article { QP2 ,
Author = {Y. Garniron and K. Gasperich and T. Applencourt and A. Benali and A. Fert{\'e} and J. Paquier and B. Pradines and R. Assaraf and P. Reinhardt and J. Toulouse and P. Barbaresco and N. Renon and G. David and J. P. Malrieu and M. V{\'e}ril and M. Caffarel and P. F. Loos and E. Giner and A. Scemama},
Date-Added = {2020-05-15 23:27:33 +0200},
Date-Modified = {2020-05-15 23:27:33 +0200},
Doi = {10.1021/acs.jctc.9b00176},
Journal = {J. Chem. Theory Comput.},
Pages = {3591},
Title = {Quantum Package 2.0: A Open-Source Determinant-Driven Suite Of Programs},
Volume = {15},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00176}}
@article { Veril_2018 ,
Author = {M. Veril and P. Romaniello and J. A. Berger and P. F. Loos},
Date-Added = {2020-05-15 23:27:33 +0200},
Date-Modified = {2020-05-15 23:27:33 +0200},
Doi = {10.1021/acs.jctc.8b00745},
Journal = {J. Chem. Theory Comput.},
Pages = {5220},
Title = {Unphysical Discontinuities in GW Methods},
Volume = {14},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00745}}
@article { Loos_2018 ,
Author = {P. F. Loos and P. Romaniello and J. A. Berger},
Date-Added = {2020-05-15 23:27:20 +0200},
Date-Modified = {2020-05-15 23:27:20 +0200},
Doi = {10.1021/acs.jctc.8b00260},
Journal = {J. Chem. Theory Comput.},
Pages = {3071--3082},
Title = {Green Functions and Self-Consistency: Insights From the Spherium Model},
Volume = {14},
Year = {2018},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.8b00260}}
@article { Li_2019 ,
Author = {J. Li and N. D. Drummond and P. Schuck and V. Olevano},
Date-Added = {2020-05-15 23:26:56 +0200},
Date-Modified = {2020-05-15 23:26:56 +0200},
Doi = {10.21468/SciPostPhys.6.4.040},
Journal = {SciPost Phys.},
Pages = {040},
Title = {Comparing Many-Body Approaches Against the Helium Atom Exact Solution},
Volume = {6},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.21468/SciPostPhys.6.4.040}}
@article { Beigi_2003 ,
Author = {Ismail-Beigi, Sohrab and Louie, Steven G.},
Date-Added = {2020-05-15 23:26:48 +0200},
Date-Modified = {2020-05-15 23:26:48 +0200},
Doi = {10.1103/PhysRevLett.90.076401},
Issue = {7},
Journal = {Phys. Rev. Lett.},
Month = {Feb},
Numpages = {4},
Pages = {076401},
Publisher = {American Physical Society},
Title = {Excited-State Forces within a First-Principles Green's Function Formalism},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.90.076401},
Volume = {90},
Year = {2003},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.90.076401},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.90.076401}}
@article { Zhenglu_2019 ,
Author = {Li, Zhenglu and Antonius, Gabriel and Wu, Meng and da Jornada, Felipe H. and Louie, Steven G.},
Date-Added = {2020-05-15 23:26:37 +0200},
Date-Modified = {2020-05-15 23:26:37 +0200},
Doi = {10.1103/PhysRevLett.122.186402},
Issue = {18},
Journal = {Phys. Rev. Lett.},
Month = {May},
Numpages = {6},
Pages = {186402},
Publisher = {American Physical Society},
Title = {Electron-Phonon Coupling from Ab Initio Linear-Response Theory within the $GW$ Method: Correlation-Enhanced Interactions and Superconductivity in ${\mathrm{Ba}}_{1\ensuremath{-}x}{\mathrm{K}}_{x}{\mathrm{BiO}}_{3}$},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.122.186402},
Volume = {122},
Year = {2019},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.122.186402},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.122.186402}}
@article { Montserrat_2016 ,
Author = {Monserrat, Bartomeu},
Date-Added = {2020-05-15 23:26:29 +0200},
Date-Modified = {2020-05-15 23:26:29 +0200},
Doi = {10.1103/PhysRevB.93.100301},
Issue = {10},
Journal = {Phys. Rev. B},
Month = {Mar},
Numpages = {6},
Pages = {100301},
Publisher = {American Physical Society},
Title = {Correlation Effects on Electron-Phonon Coupling in Semiconductors: Many-Body Theory Along Thermal Lines},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.93.100301},
Volume = {93},
Year = {2016},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.93.100301},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.93.100301}}
@article { Yin_2013 ,
Author = {Yin, Z. P. and Kutepov, A. and Kotliar, G.},
Date-Added = {2020-05-15 23:26:21 +0200},
Date-Modified = {2020-05-15 23:26:21 +0200},
Doi = {10.1103/PhysRevX.3.021011},
Issue = {2},
Journal = {Phys. Rev. X},
Month = {May},
Numpages = {20},
Pages = {021011},
Publisher = {American Physical Society},
Title = {Correlation-Enhanced Electron-Phonon Coupling: Applications of $GW$ and Screened Hybrid Functional to Bismuthates, Chloronitrides, and Other High-${T}_{c}$ Superconductors},
Url = {https://link.aps.org/doi/10.1103/PhysRevX.3.021011},
Volume = {3},
Year = {2013},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevX.3.021011},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevX.3.021011}}
@article { Lazzeri_2008 ,
Author = {Lazzeri, Michele and Attaccalite, Claudio and Wirtz, Ludger and Mauri, Francesco},
Date-Added = {2020-05-15 23:26:11 +0200},
Date-Modified = {2020-05-15 23:26:11 +0200},
Doi = {10.1103/PhysRevB.78.081406},
Issue = {8},
Journal = {Phys. Rev. B},
Month = {Aug},
Numpages = {4},
Pages = {081406},
Publisher = {American Physical Society},
Title = {Impact of the Electron-Electron Correlation on Phonon Dispersion: Failure of LDA and GGA DFT Functionals in Graphene and Graphite},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.78.081406},
Volume = {78},
Year = {2008},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.78.081406},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.78.081406}}
@article { Furche_2002 ,
Author = {F. Furche and R. Ahlrichs},
Date-Added = {2020-05-15 23:26:03 +0200},
Date-Modified = {2020-05-15 23:26:03 +0200},
Doi = {10.1063/1.1508368},
Journal = {J. Chem. Phys.},
Pages = {7433},
Title = {Adiabatic Time-Dependent Density Functional Methods for Excited State Properties},
Volume = {117},
Year = {2002},
Bdsk-Url-1 = {https://doi.org/10.1063/1.1508368}}
@article { Furche_2008 ,
Author = {Furche, Filipp},
Date-Added = {2020-05-15 23:26:03 +0200},
Date-Modified = {2020-05-15 23:26:03 +0200},
Doi = {10.1063/1.2977789},
File = {/Users/loos/Zotero/storage/FWTKB6W5/Furche_2008.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = sep,
Number = {11},
Pages = {114105},
Title = {Developing the Random Phase Approximation Into a Practical Post-{{Kohn}}\textendash{}{{Sham}} Correlation Model},
Volume = {129},
Year = {2008},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.2977789}}
@article { Holzer_2018 ,
Author = {Christof Holzer and Xin Gui and Michael E. Harding and Georg Kresse and Trygve Helgaker and Wim Klopper},
Date-Added = {2020-05-15 23:25:48 +0200},
Date-Modified = {2020-05-15 23:25:48 +0200},
Doi = {10.1063/1.5047030},
Journal = {J. Chem. Phys.},
Pages = {144106},
Title = {Bethe--Salpeter Correlation Energies of Atoms and Molecules},
Volume = {149},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5047030}}
@article { Holzer_2019 ,
Author = {Holzer,Christof and Teale,Andrew M. and Hampe,Florian and Stopkowicz,Stella and Helgaker,Trygve and Klopper,Wim},
Date-Added = {2020-05-15 23:25:48 +0200},
Date-Modified = {2020-05-15 23:25:48 +0200},
Doi = {10.1063/1.5093396},
Eprint = {https://doi.org/10.1063/1.5093396},
Journal = {J. Chem. Phys.},
Number = {21},
Pages = {214112},
Title = {GW Quasiparticle Energies of Atoms in Strong Magnetic Fields},
Url = {https://doi.org/10.1063/1.5093396},
Volume = {150},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5093396}}
@article { Angeli_2001 ,
Author = {Angeli, C. and Cimiraglia, R. and Evangelisti, S. and Leininger, T. and Malrieu, J.-P.},
Date-Added = {2020-05-15 23:25:37 +0200},
Date-Modified = {2020-05-15 23:25:37 +0200},
Doi = {10.1063/1.1361246},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = jun,
Number = {23},
Pages = {10252--10264},
Title = {Introduction of {\emph{n}} -Electron Valence States for Multireference Perturbation Theory},
Volume = {114},
Year = {2001},
Bdsk-Url-1 = {https://doi.org/10.1063/1.1361246}}
@article { Angeli_2012 ,
Author = {Angeli, Celestino and Cimiraglia, Renzo and Pastore, Mariachiara},
Date-Added = {2020-05-15 23:25:29 +0200},
Date-Modified = {2020-05-15 23:25:29 +0200},
Doi = {10.1080/00268976.2012.689872},
Issn = {0026-8976, 1362-3028},
Journal = {Mol. Phys.},
Language = {en},
Month = dec,
Number = {23},
Pages = {2963-2968},
Shorttitle = {A Comparison of Various Approaches in Internally Contracted Multireference Configuration Interaction},
Title = {A Comparison of Various Approaches in Internally Contracted Multireference Configuration Interaction: The Carbon Dimer as a Test Case},
Volume = {110},
Year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2012.689872}}
@article { Loos_2020a ,
Author = {P. F. Loos and A. Scemama and D. Jacquemin},
Date-Added = {2020-05-15 23:25:20 +0200},
Date-Modified = {2020-05-15 23:25:20 +0200},
Journal = {J. Phys. Chem. Lett.},
Pages = {submitted},
Title = {The Quest for Highly-Accurate Excitation Energies: a Computational Perspective},
Year = {2020}}
@article { Maggio_2016 ,
Author = {Maggio, Emanuele and Kresse, Georg},
Date-Added = {2020-05-15 23:24:45 +0200},
Date-Modified = {2020-05-15 23:24:45 +0200},
Doi = {10.1103/PhysRevB.93.235113},
Issue = {23},
Journal = {Phys. Rev. B},
Month = {Jun},
Numpages = {12},
Pages = {235113},
Publisher = {American Physical Society},
Title = {Correlation energy for the homogeneous electron gas: Exact Bethe-Salpeter solution and an approximate evaluation},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.93.235113},
Volume = {93},
Year = {2016},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.93.235113},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.93.235113}}
@article { Maggio_2017 ,
Author = {Maggio, Emanuele and Liu, Peitao and {van Setten}, Michiel J. and Kresse, Georg},
Date-Added = {2020-05-15 23:24:45 +0200},
Date-Modified = {2020-05-15 23:24:45 +0200},
Doi = {10.1021/acs.jctc.6b01150},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = feb,
Number = {2},
Pages = {635-648},
Shorttitle = {{{{\emph{GW}}}} 100},
Title = {{{{\emph{GW}}}} 100: {{A Plane Wave Perspective}} for {{Small Molecules}}},
Volume = {13},
Year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b01150}}
@article { Angyan_2011 ,
Author = {J. G. Angyan and R.-F. Liu and J. Toulouse and G. Jansen},
Date-Added = {2020-05-15 23:24:34 +0200},
Date-Modified = {2020-05-15 23:24:34 +0200},
Doi = {10.1021/ct200501r},
Journal = {J. Chem. Theory Comput.},
Pages = {3116--3130},
Title = {Correlation Energy Expressions from the Adiabatic-Connection Fluctuation Dissipation Theorem Approach},
Volume = {7},
Year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1021/ct200501r}}
@article { Toulouse_2010 ,
Author = {Julien Toulouse and Wuming Zhu and Janos G. Angyan and Andreas Savin},
Date-Added = {2020-05-15 23:24:26 +0200},
Date-Modified = {2020-05-15 23:24:26 +0200},
Doi = {10.1103/PhysRevA.82.032502},
Journal = {Phys. Rev. A},
Pages = {032502},
Title = {Range-Separated Density-Functional Theory With the Random-Phase Approximation: Detailed Formalism and Illustrative Applications},
Volume = {82},
Year = {2010},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.82.032502}}
@article { Toulouse_2004 ,
Author = {J. Toulouse and F. Colonna and A. Savin},
Date-Added = {2020-05-15 23:24:23 +0200},
Date-Modified = {2020-05-15 23:24:23 +0200},
Journal = {Phys. Rev. A},
Keywords = {density functional theory; wave functions; exchange interactions (electron); electron correlations},
Number = {6},
Pages = {062505},
Publisher = {APS},
Title = {Long-Range--Short-Range Separation Of The Electron-Electron Interaction In Density-Functional Theory},
Volume = {70},
Year = {2004}}
@article { Toulouse_2007 ,
Author = {Toulouse, Julien and Umrigar, C. J.},
Date-Added = {2020-05-15 23:24:23 +0200},
Date-Modified = {2020-05-15 23:24:23 +0200},
Doi = {10.1063/1.2437215},
Issn = {1089-7690},
Journal = {J. Chem. Phys.},
Month = {Feb},
Number = {8},
Pages = {084102},
Publisher = {AIP Publishing},
Title = {Optimization of quantum Monte Carlo wave functions by energy minimization},
Url = {http://dx.doi.org/10.1063/1.2437215},
Volume = {126},
Year = {2007},
Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2437215}}
@article { Toulouse_2008 ,
Author = {Toulouse, Julien and Umrigar, C. J.},
Date-Added = {2020-05-15 23:24:19 +0200},
Date-Modified = {2020-05-15 23:24:19 +0200},
Doi = {10.1063/1.2908237},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = may,
Number = {17},
Pages = {174101},
Title = {Full Optimization of {{Jastrow}}\textendash{{Slater}} Wave Functions with Application to the First-Row Atoms and Homonuclear Diatomic Molecules},
Volume = {128},
Year = {2008},
Bdsk-Url-1 = {https://doi.org/10.1063/1.2908237}}
@article { Toulouse_2005 ,
Author = {J. Toulouse and P. Gori-Giorgi and A. Savin},
Date-Added = {2020-05-15 23:24:15 +0200},
Date-Modified = {2020-05-15 23:24:15 +0200},
Journal = {Theor. Chem. Acc.},
Pages = {305},
Title = {A Short-Range Correlation Energy Density Functional With Multi-Determinantal Reference},
Volume = {114},
Year = {2005}}
@article { Toulouse_2009 ,
Author = {Julien Toulouse and Iann C. Gerber and Georg Jansen and Andreas Savin and Janos G. Angyan},
Date-Added = {2020-05-15 23:24:15 +0200},
Date-Modified = {2020-05-15 23:24:15 +0200},
Doi = {10.1103/PhysRevLett.102.096404},
Journal = {Phys. Rev. Lett.},
Pages = {096404},
Title = {Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation},
Volume = {102},
Year = {2009},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.102.096404}}
@inbook { Roos_1996 ,
Author = {Roos, B. O. and Andersson, K. and Fulscher, M. P. and Malmqvist, P.-A. and {Serrano-Andr\'es}, L.},
Date-Added = {2020-05-15 23:24:03 +0200},
Date-Modified = {2020-05-15 23:24:03 +0200},
Editor = {I. Prigogine and S. A. Rice},
Pages = {219--331},
Publisher = {Wiley, New York},
Series = {Adv. Chem. Phys.},
Title = {Multiconfigurational Perturbation Theory: Applications In Electronic Spectroscopy},
Volume = {XCIII},
Year = {1996}}
@article { Andersson_1990 ,
Author = {Andersson, Kerstin. and Malmqvist, Per Aake. and Roos, Bjoern O. and Sadlej, Andrzej J. and Wolinski, Krzysztof.},
Date-Added = {2020-05-15 23:23:55 +0200},
Date-Modified = {2020-05-15 23:23:55 +0200},
Doi = {10.1021/j100377a012},
Journal = {J. Phys. Chem.},
Number = {14},
Pages = {5483--5488},
Title = {Second-Order Perturbation Theory With a CASSCF Reference Function},
Volume = {94},
Year = {1990},
Bdsk-Url-1 = {http://dx.doi.org/10.1021/j100377a012}}
@article { Andersson_1992 ,
Author = {Andersson, Kerstin and Malmqvist, Per-Ake and Roos, Bj{\"o}rn O.},
Date-Added = {2020-05-15 23:23:55 +0200},
Date-Modified = {2020-05-15 23:23:55 +0200},
Doi = {10.1063/1.462209},
Journal = {J. Chem. Phys.},
Number = {2},
Pages = {1218--1226},
Title = {Second-Order Perturbation Theory With a Complete Active Space Self-Consistent Field Reference Function},
Volume = {96},
Year = {1992},
Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/96/2/10.1063/1.462209},
Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.462209}}
@article { Gonzales_2012 ,
Author = {Gonz{\'a}lez, Leticia and Escudero, D. and Serrano-Andr\`es, L.},
Date-Added = {2020-05-15 23:23:45 +0200},
Date-Modified = {2020-05-15 23:23:45 +0200},
Doi = {10.1002/cphc.201100200},
Journal = {ChemPhysChem},
Pages = {28--51},
Title = {Progress and Challenges in the Calculation of Electronic Excited States},
Volume = {13},
Year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1002/cphc.201100200}}
@article { Navizet_2011 ,
Author = {Isabelle Navizet and Ya-Jun Liu and Nicolas Ferre and Daniel {Roca-Sanjun} and Roland Lindh},
Date-Added = {2020-05-15 23:23:37 +0200},
Date-Modified = {2020-05-15 23:23:37 +0200},
Doi = {10.1002/cphc.201100504},
Journal = {ChemPhysChem},
Pages = {3064--3076},
Title = {The Chemistry of Bioluminescence: An Analysis of Chemical Functionalities},
Volume = {12},
Year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1002/cphc.201100504}}
@book { Olivucci_2010 ,
Address = {Amsterdam; Boston (Mass.); Paris},
Author = {Olivucci, Massimo},
Date-Added = {2020-05-15 23:23:29 +0200},
Date-Modified = {2020-05-15 23:23:29 +0200},
Isbn = {978-0-08-045519-8},
Note = {OCLC: 800555856},
Publisher = {{Elsevier Science}},
Title = {Computational Photochemistry},
Year = {2010}}
@article { Bernardi_1990 ,
Author = {Bernardi, Fernando and De, Sushovan and Olivucci, Massimo and Robb, Michael A.},
Date-Added = {2020-05-15 23:23:14 +0200},
Date-Modified = {2020-05-15 23:23:14 +0200},
Doi = {10.1021/ja00161a013},
Issn = {0002-7863},
Journal = {Journal of the American Chemical Society},
Language = {en},
Month = feb,
Number = {5},
Pages = {1737-1744},
Shorttitle = {The Mechanism of Ground-State-Forbidden Photochemical Pericyclic Reactions},
Title = {The Mechanism of Ground-State-Forbidden Photochemical Pericyclic Reactions: Evidence for Real Conical Intersections},
Volume = {112},
Year = {1990},
Bdsk-Url-1 = {https://doi.org/10.1021/ja00161a013}}
@inbook { Robb_2007 ,
Address = {Hoboken, NJ, USA},
Author = {Robb, Michael A. and Garavelli, Marco and Olivucci, Massimo and Bernardi, Fernando},
Booktitle = {Reviews in {{Computational Chemistry}}},
Date-Added = {2020-05-15 23:23:07 +0200},
Date-Modified = {2020-05-15 23:23:07 +0200},
Doi = {10.1002/9780470125922.ch2},
Editor = {Lipkowitz, Kenny B. and Boyd, Donald B.},
Isbn = {978-0-470-12592-2 978-0-471-36168-8},
Pages = {87-146},
Publisher = {{John Wiley \& Sons, Inc.}},
Title = {A {{Computational Strategy}} for {{Organic Photochemistry}}},
Year = {2007},
Bdsk-Url-1 = {https://doi.org/10.1002/9780470125922.ch2}}
@article { Bernardi_1996 ,
Author = {Bernardi, Fernando and Olivucci, Massimo and Robb, Michael A.},
Date-Added = {2020-05-15 23:23:07 +0200},
Date-Modified = {2020-05-15 23:23:07 +0200},
Doi = {10.1039/cs9962500321},
Issn = {0306-0012, 1460-4744},
Journal = {Chem. Soc. Rev.},
Language = {en},
Number = {5},
Pages = {321},
Title = {Potential Energy Surface Crossings in Organic Photochemistry},
Volume = {25},
Year = {1996},
Bdsk-Url-1 = {https://doi.org/10.1039/cs9962500321}}
@article { Hanke_1980 ,
Author = {W. Hanke and L. J. Sham},
Date-Added = {2020-05-15 22:38:14 +0200},
Date-Modified = {2020-05-15 22:38:14 +0200},
Doi = {10.1103/PhysRevB.21.4656},
Journal = {Phys. Rev. B},
Pages = {4656},
Title = {Many-Particle Effects in the Optical Spectrum of a Semiconductor},
Volume = {21},
Year = {1980},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.21.4656}}
2020-05-15 15:13:52 +02:00
@article { Martin_1959 ,
Author = {Martin, Paul C. and Schwinger, Julian},
Date-Added = {2020-05-15 15:13:03 +0200},
Date-Modified = {2020-05-15 15:13:03 +0200},
Doi = {10.1103/PhysRev.115.1342},
Issn = {0031-899X},
Journal = {Phys. Rev.},
Language = {en},
Month = sep,
Number = {6},
Pages = {1342--1373},
Title = {Theory of {{Many}}-{{Particle Systems}}. {{I}}},
Volume = {115},
Year = {1959},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.115.1342}}
@article { Friedrich_2006 ,
Author = {Friedrich, Christoph and Schindlmayr, Arno and Bl{\"u}gel, Stefan and Kotani, Takao},
Date-Added = {2020-05-15 15:12:46 +0200},
Date-Modified = {2020-05-15 15:12:46 +0200},
Doi = {10.1103/PhysRevB.74.045104},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = jul,
Number = {4},
Pages = {045104},
Title = {Elimination of the Linearization Error in {{{\emph{GW}}}} Calculations Based on the Linearized Augmented-Plane-Wave Method},
Volume = {74},
Year = {2006},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.74.045104}}
@article { Stan_2009 ,
Author = {Stan, Adrian and Dahlen, Nils Erik and {van Leeuwen}, Robert},
Date-Added = {2020-05-15 15:12:13 +0200},
Date-Modified = {2020-05-15 15:12:13 +0200},
Doi = {10.1063/1.3089567},
File = {/Users/loos/Zotero/storage/M4YMAWCH/Stan_2009.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = mar,
Number = {11},
Pages = {114105},
Title = {Levels of Self-Consistency in the {{GW}} Approximation},
Volume = {130},
Year = {2009},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.3089567}}
@article { Hybertsen_1986 ,
Author = {Hybertsen, Mark S. and Louie, Steven G.},
Date-Added = {2020-05-15 15:11:19 +0200},
Date-Modified = {2020-05-15 15:11:19 +0200},
Doi = {10.1103/PhysRevB.34.5390},
Issn = {0163-1829},
Journal = {Phys. Rev. B},
Language = {en},
Month = oct,
Number = {8},
Pages = {5390--5413},
Shorttitle = {Electron Correlation in Semiconductors and Insulators},
Title = {Electron Correlation in Semiconductors and Insulators: {{Band}} Gaps and Quasiparticle Energies},
Volume = {34},
Year = {1986},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.34.5390}}
@article { Hybertsen_1985 ,
Author = {Hybertsen, Mark S. and Louie, Steven G.},
Date-Added = {2020-05-15 15:11:19 +0200},
Date-Modified = {2020-05-15 15:11:19 +0200},
File = {/Users/loos/Zotero/storage/3WVHH8EH/Hybertsen_1985.pdf},
Journal = {Phys. Rev. Lett.},
Number = {13},
Pages = {1418},
Shorttitle = {First-Principles Theory of Quasiparticles},
Title = {First-Principles Theory of Quasiparticles: Calculation of Band Gaps in Semiconductors and Insulators},
Volume = {55},
Year = {1985}}
@article { Bruneval_2012 ,
Author = {Bruneval, Fabien},
Date-Added = {2020-05-15 15:11:02 +0200},
Date-Modified = {2020-05-15 15:11:02 +0200},
Doi = {10.1063/1.4718428},
File = {/Users/loos/Zotero/storage/MVP3WBIS/Bruneval_2012a.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = may,
Number = {19},
Pages = {194107},
Title = {Ionization Energy of Atoms Obtained from {{{\emph{GW}}}} Self-Energy or from Random Phase Approximation Total Energies},
Volume = {136},
Year = {2012},
Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4718428}}
@article { Baym_1961 ,
Author = {Baym, Gordon and Kadanoff, Leo P.},
Date-Added = {2020-05-15 15:10:45 +0200},
Date-Modified = {2020-05-15 15:10:45 +0200},
Doi = {10.1103/PhysRev.124.287},
Issn = {0031-899X},
Journal = {Phys. Rev.},
Language = {en},
Month = oct,
Number = {2},
Pages = {287--299},
Title = {Conservation {{Laws}} and {{Correlation Functions}}},
Volume = {124},
Year = {1961},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.124.287}}
@article { Baym_1962 ,
Author = {Baym, Gordon},
Date-Added = {2020-05-15 15:10:45 +0200},
Date-Modified = {2020-05-15 15:10:45 +0200},
Doi = {10.1103/PhysRev.127.1391},
Issn = {0031-899X},
Journal = {Phys. Rev.},
Language = {en},
Month = aug,
Number = {4},
Pages = {1391--1401},
Title = {Self-{{Consistent Approximations}} in {{Many}}-{{Body Systems}}},
Volume = {127},
Year = {1962},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.127.1391}}
@article { Stan_2006 ,
Author = {Stan, A and Dahlen, N. E and van Leeuwen, R.},
Date-Added = {2020-05-15 15:10:30 +0200},
Date-Modified = {2020-05-15 15:10:30 +0200},
Doi = {10.1209/epl/i2006-10266-6},
File = {/Users/loos/Zotero/storage/A2TAP2VH/Stan_2006.pdf},
Issn = {0295-5075, 1286-4854},
Journal = {Europhys. Lett. EPL},
Month = oct,
Number = {2},
Pages = {298--304},
Title = {Fully Self-Consistent {{{\emph{GW}}}} Calculations for Atoms and Molecules},
Volume = {76},
Year = {2006},
Bdsk-Url-1 = {https://dx.doi.org/10.1209/epl/i2006-10266-6}}
@article { Stan_2015 ,
Author = {Adrian Stan and Pina Romaniello and Santiago Rigamonti and Lucia Reining and J A Berger},
Date-Added = {2020-05-15 15:10:30 +0200},
Date-Modified = {2020-05-15 15:10:30 +0200},
Doi = {10.1088/1367-2630/17/9/093045},
Journal = {New J. Phys.},
Number = {9},
Pages = {093045},
Title = {Unphysical and physical solutions in many-body theories: from weak to strong correlation},
Volume = {17},
Year = {2015},
Bdsk-Url-1 = {https://doi.org/10.1088/1367-2630/17/9/093045}}
@article { Rostgaard_2010 ,
Author = {Rostgaard, C. and Jacobsen, K. W. and Thygesen, K. S.},
Date-Added = {2020-05-15 15:10:13 +0200},
Date-Modified = {2020-05-15 15:10:13 +0200},
Doi = {10.1103/PhysRevB.81.085103},
File = {/Users/loos/Zotero/storage/4665L3NK/Rostgaard_2010.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = feb,
Number = {8},
Pages = {085103},
Title = {Fully Self-Consistent {{GW}} Calculations for Molecules},
Volume = {81},
Year = {2010},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.81.085103}}
@article { Koval_2014 ,
Author = {Koval, P. and Foerster, D. and S{\'a}nchez-Portal, D.},
Date-Added = {2020-05-15 15:09:57 +0200},
Date-Modified = {2020-05-15 15:09:57 +0200},
Doi = {10.1103/PhysRevB.89.155417},
File = {/Users/loos/Zotero/storage/G3WW5DMD/Koval_2014.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = apr,
Number = {15},
Pages = {155417},
Title = {Fully Self-Consistent {{G W}} and Quasiparticle Self-Consistent {{G W}} for Molecules},
Volume = {89},
Year = {2014},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.89.155417}}
@article { Garcia-Gonzalez_2001 ,
Author = {Garc{\'\i}a-Gonz{\'a}lez, P. and Godby, R. W.},
Date-Added = {2020-05-15 15:09:44 +0200},
Date-Modified = {2020-05-15 15:09:44 +0200},
Doi = {10.1103/PhysRevB.63.075112},
File = {/Users/loos/Zotero/storage/4MI62AQA/GarciaGonzales_2001.pdf},
Issn = {0163-1829, 1095-3795},
Journal = {Phys. Rev. B},
Language = {en},
Month = jan,
Number = {7},
Pages = {075112},
Title = {Self-Consistent Calculation of Total Energies of the Electron Gas Using Many-Body Perturbation Theory},
Volume = {63},
Year = {2001},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.63.075112}}
@article { Loos_2016 ,
Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
Date-Added = {2020-05-15 15:09:32 +0200},
Date-Modified = {2020-05-15 15:09:32 +0200},
Doi = {10.1002/wcms.1257},
File = {/Users/loos/Zotero/storage/HEXYAMEN/50.pdf},
Issn = {17590876},
Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
Language = {en},
Month = jul,
Number = {4},
Pages = {410--429},
Shorttitle = {The Uniform Electron Gas},
Title = {The Uniform Electron Gas: {{The}} Uniform Electron Gas},
Volume = {6},
Year = {2016},
Bdsk-Url-1 = {https://dx.doi.org/10.1002/wcms.1257}}
@article { Schone_1998 ,
Author = {Sch{\"o}ne, Wolf-Dieter and Eguiluz, Adolfo G.},
Date-Added = {2020-05-15 15:09:16 +0200},
Date-Modified = {2020-05-15 15:09:16 +0200},
Doi = {10.1103/PhysRevLett.81.1662},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = aug,
Number = {8},
Pages = {1662--1665},
Title = {Self-{{Consistent Calculations}} of {{Quasiparticle States}} in {{Metals}} and {{Semiconductors}}},
Volume = {81},
Year = {1998},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.81.1662}}
@article { Ku_2002 ,
Author = {Ku, Wei and Eguiluz, Adolfo G.},
Date-Added = {2020-05-15 15:09:04 +0200},
Date-Modified = {2020-05-15 15:09:04 +0200},
Doi = {10.1103/PhysRevLett.89.126401},
File = {/Users/loos/Zotero/storage/AATBUYZP/Ku_2002.pdf},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = aug,
Number = {12},
Pages = {126401},
Shorttitle = {Band-{{Gap Problem}} in {{Semiconductors Revisited}}},
Title = {Band-{{Gap Problem}} in {{Semiconductors Revisited}}: {{Effects}} of {{Core States}} and {{Many}}-{{Body Self}}-{{Consistency}}},
Volume = {89},
Year = {2002},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.89.126401}}
@article { deGroot_1995 ,
Author = {{de Groot}, H. J. and Bobbert, P. A. and {van Haeringen}, W.},
Date-Added = {2020-05-15 15:08:43 +0200},
Date-Modified = {2020-05-15 15:08:43 +0200},
Doi = {10.1103/PhysRevB.52.11000},
Issn = {0163-1829, 1095-3795},
Journal = {Phys. Rev. B},
Language = {en},
Month = oct,
Number = {15},
Pages = {11000--11007},
Title = {Self-Consistent {{{\emph{GW}}}} for a Quasi-One-Dimensional Semiconductor},
Volume = {52},
Year = {1995},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.52.11000}}
@article { Hung_2017 ,
Author = {Hung, Linda and Bruneval, Fabien and Baishya, Kopinjol and {\"O}{\u g}{\"u}t, Serdar},
Date-Added = {2020-05-15 15:08:35 +0200},
Date-Modified = {2020-05-15 15:08:35 +0200},
Doi = {10.1021/acs.jctc.7b00123},
File = {/Users/loos/Zotero/storage/PHJQ6KXT/Hung_2017.pdf},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = may,
Number = {5},
Pages = {2135--2146},
Title = {Benchmarking the {{{\emph{GW}}}} {{Approximation}} and {{Bethe}}\textendash{}{{Salpeter Equation}} for {{Groups IB}} and {{IIB Atoms}} and {{Monoxides}}},
Volume = {13},
Year = {2017},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.7b00123}}
@article { Hung_2016 ,
Author = {Hung, Linda and {da Jornada}, Felipe H. and Souto-Casares, Jaime and Chelikowsky, James R. and Louie, Steven G. and {\"O}{\u g}{\"u}t, Serdar},
Date-Added = {2020-05-15 15:08:35 +0200},
Date-Modified = {2020-05-15 15:08:35 +0200},
Doi = {10.1103/PhysRevB.94.085125},
File = {/Users/loos/Zotero/storage/YVJNGCM7/Hung_2016.pdf},
Issn = {2469-9950, 2469-9969},
Journal = {Phys. Rev. B},
Language = {en},
Month = aug,
Number = {8},
Pages = {085125},
Shorttitle = {Excitation Spectra of Aromatic Molecules within a Real-Space {{G W}} -{{BSE}} Formalism},
Title = {Excitation Spectra of Aromatic Molecules within a Real-Space {{G W}} -{{BSE}} Formalism: {{Role}} of Self-Consistency and Vertex Corrections},
Volume = {94},
Year = {2016},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.94.085125}}
@article { Kutepov_2016 ,
Author = {Kutepov, Andrey L.},
Date-Added = {2020-05-15 15:08:23 +0200},
Date-Modified = {2020-05-15 15:08:23 +0200},
Doi = {10.1103/PhysRevB.94.155101},
File = {/Users/loos/Zotero/storage/G69H55JQ/Kutepov_2016.pdf},
Issn = {2469-9950, 2469-9969},
Journal = {Phys. Rev. B},
Language = {en},
Month = oct,
Number = {15},
Pages = {155101},
Title = {Electronic Structure of {{Na}}, {{K}}, {{Si}}, and {{LiF}} from Self-Consistent Solution of {{Hedin}}'s Equations Including Vertex Corrections},
Volume = {94},
Year = {2016},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.94.155101}}
@article { Kutepov_2017 ,
Author = {Kutepov, A. L. and Kotliar, G.},
Date-Added = {2020-05-15 15:08:23 +0200},
Date-Modified = {2020-05-15 15:08:23 +0200},
Doi = {10.1103/PhysRevB.96.035108},
File = {/Users/loos/Zotero/storage/LHWCGLTR/Kutepov_2017.pdf},
Issn = {2469-9950, 2469-9969},
Journal = {Phys. Rev. B},
Language = {en},
Month = jul,
Number = {3},
Pages = {035108},
Title = {One-Electron Spectra and Susceptibilities of the Three-Dimensional Electron Gas from Self-Consistent Solutions of {{Hedin}}'s Equations},
Volume = {96},
Year = {2017},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.96.035108}}
@article { Caruso_2016 ,
Author = {F. Caruso and M. Dauth and M. J. {van Setten} and P. Rinke},
Date-Added = {2020-05-15 15:07:54 +0200},
Date-Modified = {2020-05-15 15:07:54 +0200},
Doi = {10.1021/acs.jctc.6b00774},
Journal = {J. Chem. Theory Comput.},
Pages = {5076},
Title = {Benchmark of GW Approaches for the GW100 Test Set},
Volume = {12},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b00774}}
@article { Ren_2015 ,
Author = {Ren, Xinguo and Marom, Noa and Caruso, Fabio and Scheffler, Matthias and Rinke, Patrick},
Date-Added = {2020-05-15 15:07:54 +0200},
Date-Modified = {2020-05-15 15:07:54 +0200},
Doi = {10.1103/PhysRevB.92.081104},
File = {/Users/loos/Zotero/storage/DK4SKK42/Ren_2015.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = aug,
Number = {8},
Pages = {081104},
Shorttitle = {Beyond the {{G W}} Approximation},
Title = {Beyond the {{G W}} Approximation: {{A}} Second-Order Screened Exchange Correction},
Volume = {92},
Year = {2015},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.92.081104}}
@article { Caruso_2013 ,
Author = {Caruso, Fabio and Rohr, Daniel R. and Hellgren, Maria and Ren, Xinguo and Rinke, Patrick and Rubio, Angel and Scheffler, Matthias},
Date-Added = {2020-05-15 15:07:54 +0200},
Date-Modified = {2020-05-15 15:07:54 +0200},
Doi = {10.1103/PhysRevLett.110.146403},
File = {/Users/loos/Zotero/storage/UF9F4UWC/Caruso_2013a.pdf;/Users/loos/Zotero/storage/Y3IZUCIX/Caruso_2013b.pdf},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = apr,
Number = {14},
Pages = {146403},
Shorttitle = {Bond {{Breaking}} and {{Bond Formation}}},
Title = {Bond {{Breaking}} and {{Bond Formation}}: {{How Electron Correlation}} Is {{Captured}} in {{Many}}-{{Body Perturbation Theory}} and {{Density}}-{{Functional Theory}}},
Volume = {110},
Year = {2013},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.110.146403}}
@article { Caruso_2013a ,
Author = {Caruso, Fabio and Rinke, Patrick and Ren, Xinguo and Rubio, Angel and Scheffler, Matthias},
Date-Added = {2020-05-15 15:07:54 +0200},
Date-Modified = {2020-05-15 15:07:54 +0200},
Doi = {10.1103/PhysRevB.88.075105},
File = {/Users/loos/Zotero/storage/SACFAD2T/Caruso_2013.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = aug,
Number = {7},
Pages = {075105},
Shorttitle = {Self-Consistent {{G W}}},
Title = {Self-Consistent {{G W}} : {{All}}-Electron Implementation with Localized Basis Functions},
Volume = {88},
Year = {2013},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.88.075105}}
@phdthesis { Caruso_2013b ,
Author = {Caruso, Fabio},
Date-Added = {2020-05-15 15:07:54 +0200},
Date-Modified = {2020-05-15 15:07:54 +0200},
File = {/Users/loos/Zotero/storage/I5Q6ZQCS/Caruso_PhD.pdf},
School = {Freie Universit{\"a}t Berlin},
Title = {Self-Consistent {{GW}} Approach for the Unified Description of Ground and Excited States of Finite Systems},
Type = {{{PhD Thesis}}},
Year = {2013}}
@article { Hellgren_2015 ,
Author = {Hellgren, Maria and Caruso, Fabio and Rohr, Daniel R. and Ren, Xinguo and Rubio, Angel and Scheffler, Matthias and Rinke, Patrick},
Date-Added = {2020-05-15 15:07:54 +0200},
Date-Modified = {2020-05-15 15:07:54 +0200},
Doi = {10.1103/PhysRevB.91.165110},
File = {/Users/loos/Zotero/storage/CXHEK6Z6/Hellgren_2015.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = apr,
Number = {16},
Pages = {165110},
Title = {Static Correlation and Electron Localization in Molecular Dimers from the Self-Consistent {{RPA}} and {{G W}} Approximation},
Volume = {91},
Year = {2015},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.91.165110}}
@article { Caruso_2012 ,
Author = {Caruso, F. and Rinke, P. and Ren, X. and Scheffler, M. and Rubio, A.},
Date-Added = {2020-05-15 15:07:54 +0200},
Date-Modified = {2020-05-15 15:07:54 +0200},
Doi = {10.1103/PhysRevB.86.081102},
File = {/Users/loos/Zotero/storage/2ZGZT4DZ/Caruso_2012.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = aug,
Number = {8},
Pages = {081102(R)},
Shorttitle = {Unified Description of Ground and Excited States of Finite Systems},
Title = {Unified Description of Ground and Excited States of Finite Systems: {{The}} Self-Consistent {{G W}} Approach},
Volume = {86},
Year = {2012},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.86.081102}}
@article { Holm_1998 ,
Author = {Holm, Bengt and {von Barth}, Ulf},
Date-Added = {2020-05-15 15:07:36 +0200},
Date-Modified = {2020-05-15 15:07:36 +0200},
File = {/Users/loos/Zotero/storage/F8I9X5AH/Holm_1998.pdf},
Journal = {Phys. Rev. B},
Number = {4},
Pages = {2108},
Title = {Fully Self-Consistent {{GW}} Self-Energy of the Electron Gas},
Volume = {57},
Year = {1998}}
@article { vonBarth_1996 ,
Author = {{von Barth}, Ulf and Holm, Bengt},
Date-Added = {2020-05-15 15:07:36 +0200},
Date-Modified = {2020-05-15 15:07:36 +0200},
Doi = {10.1103/PhysRevB.54.8411},
File = {/Users/loos/Zotero/storage/QZN2CFQX/vonBarth_1996.pdf},
Journal = {Phys. Rev. B},
Number = {12},
Pages = {8411},
Shorttitle = {Self-Consistent {{GW}} 0 Results for the Electron Gas},
Title = {Self-Consistent {{GW}} 0 Results for the Electron Gas: {{Fixed}} Screened Potential {{W}} 0 within the Random-Phase Approximation},
Volume = {54},
Year = {1996},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.54.8411}}
@article { Holm_1999 ,
Author = {Holm, Bengt},
Date-Added = {2020-05-15 15:07:36 +0200},
Date-Modified = {2020-05-15 15:07:36 +0200},
Doi = {10.1103/PhysRevLett.83.788},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = jul,
Number = {4},
Pages = {788--791},
Title = {Total {{Energies}} from {{GW Calculations}}},
Volume = {83},
Year = {1999},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.83.788}}
@article { Holm_2000 ,
Author = {Holm, B. and Aryasetiawan, F.},
Date-Added = {2020-05-15 15:07:36 +0200},
Date-Modified = {2020-05-15 15:07:36 +0200},
File = {/Users/loos/Zotero/storage/EX4CWKJL/Holm_2000.pdf},
Journal = {Phys. Rev. B},
Number = {8},
Pages = {4858},
Title = {Total Energy from the {{Galitskii}}-{{Migdal}} Formula Using Realistic Spectral Functions},
Volume = {62},
Year = {2000}}
2020-05-15 09:59:17 +02:00
@book { ParrBook ,
Address = {Clarendon Press},
Author = {R. G. Parr and W. Yang},
Date-Added = {2020-05-15 08:59:25 +0200},
Date-Modified = {2020-05-15 08:59:25 +0200},
Keywords = {dft; qmech},
Publisher = {Oxford},
Title = {Density-functional theory of atoms and molecules},
Year = {1989}}
@article { Hohenberg_1964 ,
Annote = {Hohenberg-Kohn theorem},
Author = {P. Hohenberg and W. Kohn},
Date-Added = {2020-05-15 08:59:18 +0200},
Date-Modified = {2020-05-15 08:59:18 +0200},
Doi = {10.1103/PhysRev.136.B864},
Journal = {Phys. Rev.},
Pages = {B864--B871},
Title = {Inhomogeneous electron gas},
Volume = {136},
Year = {1964},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.136.B864}}
@article { Kohn_1965 ,
Author = {W. Kohn and L. J. Sham},
Date-Added = {2020-05-15 08:58:59 +0200},
Date-Modified = {2020-05-15 08:58:59 +0200},
Doi = {10.1103/PhysRev.140.A1133},
Journal = {Phys. Rev.},
Pages = {A1133--A1138},
Title = {Self-consistent equations including exchange and correlation effects},
Volume = {140},
Year = {1965},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.140.A1133}}
2020-05-14 23:03:43 +02:00
@article { Lettmann_2019 ,
Author = {Tobias Lettmann and Michael Rohlfing},
Date-Added = {2020-05-14 22:27:01 +0200},
Date-Modified = {2020-05-14 22:35:55 +0200},
Doi = {10.1021/acs.jctc.9b00223},
Journal = {J. Chem. Theory Comput.},
Pages = {4547--4554},
Title = {Electronic Excitations of Polythiophene within Many-Body Perturbation Theory with and without the Tamm-Dancoff Approximation},
Volume = {15},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00223}}
@article { Sottile_2003 ,
Author = {Francesco Sottile and Valerio Olevano and Lucia Reining},
Date-Added = {2020-05-14 22:24:37 +0200},
Date-Modified = {2020-05-14 22:25:32 +0200},
Doi = {10.1103/PhysRevLett.91.056402},
Journal = {Phys. Rev. Lett.},
Pages = {056402},
Title = {Parameter-Free Calculation of Response Functions in Time-Dependent Density-Functional Theory},
Volume = {91},
Year = {2003},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.91.056402}}
2020-05-14 15:05:20 +02:00
@article { Ke_2011 ,
Author = {Ke, San-Huang},
Date-Added = {2020-05-14 13:55:32 +0200},
Date-Modified = {2020-05-14 13:55:32 +0200},
Doi = {10.1103/PhysRevB.84.205415},
File = {/Users/loos/Zotero/storage/98P28A6E/Ke_2011.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = nov,
Number = {20},
Pages = {205415},
Shorttitle = {All-Electron {{G W}} Methods Implemented in Molecular Orbital Space},
Title = {All-Electron {{G W}} Methods Implemented in Molecular Orbital Space: {{Ionization}} Energy and Electron Affinity of Conjugated Molecules},
Volume = {84},
Year = {2011},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.84.205415}}
@article { Kotani_2007 ,
Author = {Kotani, Takao and {van Schilfgaarde}, Mark and Faleev, Sergey V.},
Date-Added = {2020-05-14 13:54:41 +0200},
Date-Modified = {2020-05-14 13:54:41 +0200},
Doi = {10.1103/PhysRevB.76.165106},
File = {/Users/loos/Zotero/storage/FIMWDS7X/Kotani_2007.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = oct,
Number = {16},
Pages = {165106},
Shorttitle = {Quasiparticle Self-Consistent {{G W}} Method},
Title = {Quasiparticle Self-Consistent {{G W}} Method: {{A}} Basis for the Independent-Particle Approximation},
Volume = {76},
Year = {2007},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.76.165106}}
@article { vanSetten_2018 ,
Author = {{van Setten}, Michiel J. and Costa, Ramon and Vi{\~n}es, Francesc and Illas, Francesc},
Date-Added = {2020-05-14 13:54:31 +0200},
Date-Modified = {2020-05-14 13:54:31 +0200},
Doi = {10.1021/acs.jctc.7b01192},
File = {/Users/loos/Zotero/storage/2KY9G5DS/vanSetten_2018.pdf},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = feb,
Number = {2},
Pages = {877--883},
Title = {Assessing {{{\emph{GW}}}} {{Approaches}} for {{Predicting Core Level Binding Energies}}},
Volume = {14},
Year = {2018},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.7b01192}}
@article { vanSetten_2015 ,
Author = {{van Setten}, Michiel J. and Caruso, Fabio and Sharifzadeh, Sahar and Ren, Xinguo and Scheffler, Matthias and Liu, Fang and Lischner, Johannes and Lin, Lin and Deslippe, Jack R. and Louie, Steven G. and Yang, Chao and Weigend, Florian and Neaton, Jeffrey B. and Evers, Ferdinand and Rinke, Patrick},
Date-Added = {2020-05-14 13:54:31 +0200},
Date-Modified = {2020-05-14 13:54:31 +0200},
Doi = {10.1021/acs.jctc.5b00453},
File = {/Users/loos/Zotero/storage/4DNTPV2H/vanSetten_2015.pdf},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = dec,
Number = {12},
Pages = {5665--5687},
Shorttitle = {{{{\emph{GW}}}} 100},
Title = {{{{\emph{GW}}}} 100: {{Benchmarking}} {{{\emph{G}}}}{\textsubscript{0}}{{{\emph{W}}}}{\textsubscript{0}} for {{Molecular Systems}}},
Volume = {11},
Year = {2015},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.5b00453}}
@article { vanSetten_2013 ,
Author = {{van Setten}, M. J. and Weigend, F. and Evers, F.},
Date-Added = {2020-05-14 13:54:31 +0200},
Date-Modified = {2020-05-14 13:54:31 +0200},
Doi = {10.1021/ct300648t},
File = {/Users/loos/Zotero/storage/SLTIFNCK/vanSetten_2013.pdf},
Issn = {1549-9618, 1549-9626},
Journal = {J. Chem. Theory Comput.},
Language = {en},
Month = jan,
Number = {1},
Pages = {232--246},
Shorttitle = {The {{{\emph{GW}}}} -{{Method}} for {{Quantum Chemistry Applications}}},
Title = {The {{{\emph{GW}}}} -{{Method}} for {{Quantum Chemistry Applications}}: {{Theory}} and {{Implementation}}},
Volume = {9},
Year = {2013},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/ct300648t}}
@article { vanSchilfgaarde_2006 ,
Author = {{van Schilfgaarde}, M. and Kotani, Takao and Faleev, S.},
Date-Added = {2020-05-14 13:54:24 +0200},
Date-Modified = {2020-05-14 13:54:24 +0200},
Doi = {10.1103/PhysRevLett.96.226402},
File = {/Users/loos/Zotero/storage/6S8FDHP8/vanSchilfgaarde_2006.pdf},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = jun,
Number = {22},
Pages = {226402},
Title = {Quasiparticle {{Self}}-{{Consistent G W Theory}}},
Volume = {96},
Year = {2006},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.96.226402}}
@article { Faleev_2004 ,
Author = {Faleev, Sergey V. and {van Schilfgaarde}, Mark and Kotani, Takao},
Date-Added = {2020-05-14 13:54:12 +0200},
Date-Modified = {2020-05-14 13:54:12 +0200},
Doi = {10.1103/PhysRevLett.93.126406},
File = {/Users/loos/Zotero/storage/YKIDTQ84/Faleev_2004.pdf},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = sep,
Number = {12},
Pages = {126406},
Shorttitle = {All-{{Electron Self}}-{{Consistent G W Approximation}}},
Title = {All-{{Electron Self}}-{{Consistent G W Approximation}}: {{Application}} to {{Si}}, {{MnO}}, and {{NiO}}},
Volume = {93},
Year = {2004},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.93.126406}}
@article { Shishkin_2007 ,
Author = {Shishkin, M. and Kresse, G.},
Date-Added = {2020-05-14 13:39:36 +0200},
Date-Modified = {2020-05-14 13:39:36 +0200},
Doi = {10.1103/PhysRevB.75.235102},
File = {/Users/loos/Zotero/storage/24DHAPLN/Shishkin_2007.pdf},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = jun,
Number = {23},
Pages = {235102},
Title = {Self-Consistent {{G W}} Calculations for Semiconductors and Insulators},
Volume = {75},
Year = {2007},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.75.235102}}
@article { Faber_2011 ,
Author = {Faber, Carina and Attaccalite, Claudio and Olevano, V. and Runge, E. and Blase, X.},
Date-Added = {2020-05-14 13:39:24 +0200},
Date-Modified = {2020-05-14 13:39:24 +0200},
Doi = {10.1103/PhysRevB.83.115123},
Issn = {1098-0121, 1550-235X},
Journal = {Phys. Rev. B},
Language = {en},
Month = mar,
Number = {11},
Pages = {115123},
Title = {First-Principles {{GW}} Calculations for {{DNA}} and {{RNA}} Nucleobases},
Volume = {83},
Year = {2011},
Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.83.115123}}
@article { Faber_2011b ,
Author = {Faber, Carina and Janssen, Jonathan Laflamme and C\^ot\'e, Michel and Runge, E. and Blase, X.},
Date-Added = {2020-05-14 13:39:24 +0200},
Date-Modified = {2020-05-14 13:39:24 +0200},
Doi = {10.1103/PhysRevB.84.155104},
Issue = {15},
Journal = {Phys. Rev. B},
Month = {Oct},
Numpages = {5},
Pages = {155104},
Publisher = {American Physical Society},
Title = {Electron-phonon coupling in the C${}_{60}$ fullerene within the many-body $GW$ approach},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.84.155104},
Volume = {84},
Year = {2011},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.84.155104},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.84.155104}}
@phdthesis { Faber_2014 ,
Author = {Faber, Carina},
Date-Added = {2020-05-14 13:39:24 +0200},
Date-Modified = {2020-05-14 13:39:24 +0200},
File = {/Users/loos/Zotero/storage/ZPJDQPGS/Faber_PhD.pdf},
School = {Universit{\'e} de Grenoble},
Shorttitle = {Electronic, Excitonic and Polaronic Properties of Organic Systems within the Many-Body {{GW}} and {{Bethe}}-{{Salpeter}} Formalisms},
Title = {Electronic, Excitonic and Polaronic Properties of Organic Systems within the Many-Body {{GW}} and {{Bethe}}-{{Salpeter}} Formalisms: Towards Organic Photovoltaics},
Type = {{{PhD Thesis}}},
Year = {2014}}
@article { Faber_2015 ,
Author = {Faber, C. and Boulanger, P. and Attaccalite, C. and Cannuccia, E. and Duchemin, I. and Deutsch, T. and Blase, X.},
Date-Added = {2020-05-14 13:39:24 +0200},
Date-Modified = {2020-05-14 13:39:24 +0200},
Doi = {10.1103/PhysRevB.91.155109},
Issue = {15},
Journal = {Phys. Rev. B},
Month = {Apr},
Numpages = {9},
Pages = {155109},
Publisher = {American Physical Society},
Title = {Exploring Approximations to the $GW$ Self-Energy Ionic Gradients},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.91.155109},
Volume = {91},
Year = {2015},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.91.155109},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.91.155109}}
@article { Kronik_2012 ,
Author = {Leeor Kronik and Tamar Stein and Sivan {Refaely-Abramson} and Roi Baer},
Date-Added = {2020-05-14 13:35:26 +0200},
Date-Modified = {2020-05-14 13:37:05 +0200},
Doi = {10.1021/ct2009363},
Journal = {J. Chem. Theory Comput.},
Pages = {1515--1531},
Title = {Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals},
Volume = {8},
Year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1021/ct2009363}}
@article { Kraisler_2013 ,
Author = {Kraisler, Eli and Kronik, Leeor},
Date-Added = {2020-05-14 13:33:01 +0200},
Date-Modified = {2020-05-14 13:33:01 +0200},
Doi = {10.1103/PhysRevLett.110.126403},
File = {/Users/loos/Zotero/storage/ELUWJQ66/Kraisler and Kronik - 2013 - Piecewise Linearity of Approximate Density Functio.pdf},
Issn = {0031-9007, 1079-7114},
Journal = {Phys. Rev. Lett.},
Language = {en},
Month = mar,
Number = {12},
Pages = {126403},
Shorttitle = {Piecewise {{Linearity}} of {{Approximate Density Functionals Revisited}}},
Title = {Piecewise {{Linearity}} of {{Approximate Density Functionals Revisited}}: {{Implications}} for {{Frontier Orbital Energies}}},
Volume = {110},
Year = {2013},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.110.126403}}
@article { Kraisler_2014 ,
Author = {Kraisler, Eli and Kronik, Leeor},
Date-Added = {2020-05-14 13:33:01 +0200},
Date-Modified = {2020-05-14 13:33:01 +0200},
Doi = {10.1063/1.4871462},
File = {/Users/loos/Zotero/storage/SLYF4MBS/Kraisler and Kronik - 2014 - Fundamental gaps with approximate density function.pdf},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = may,
Number = {18},
Pages = {18A540},
Shorttitle = {Fundamental Gaps with Approximate Density Functionals},
Title = {Fundamental Gaps with Approximate Density Functionals: {{The}} Derivative Discontinuity Revealed from Ensemble Considerations},
Volume = {140},
Year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1063/1.4871462}}
@article { Refaely-Abramson_2012 ,
Author = {Sivan Refaely-Abramson and Sahar Sharifzadeh and Niranjan Govind and Jochen Autschbach and Jeffrey B. Neaton and Roi Baer and Leeor Kronik},
Date-Added = {2020-05-14 13:33:01 +0200},
Date-Modified = {2020-05-14 13:33:01 +0200},
Doi = {10.1103/PhysRevLett.109.226405},
Journal = {Phys. Rev. X},
Pages = {226405},
Title = {Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional},
Volume = {109},
Year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.109.226405}}
@article { Stein_2010 ,
Author = {Tamar Stein and Helen Eisenberg and Leeor Kronik and Roi Baer},
Date-Added = {2020-05-14 13:33:01 +0200},
Date-Modified = {2020-05-14 13:33:01 +0200},
Doi = {10.1103/PhysRevLett.105.266802},
Journal = {Phys. Rev. Lett.},
Pages = {266802},
Title = {Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method},
Volume = {105},
Year = {2010},
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.105.266802}}
@article { Stein_2012 ,
Author = {Tamar Stein and Jochen Autschbach and Niranjan Govind and Leeor Kronik and Roi Baer},
Date-Added = {2020-05-14 13:33:01 +0200},
Date-Modified = {2020-05-14 13:33:01 +0200},
Doi = {10.1021/jz3015937},
Journal = {J. Phys. Chem. Lett.},
Pages = {3740},
Title = {Curvature and Frontier Orbital Energies in Density Functional Theory},
Volume = {3},
Year = {2012},
Bdsk-Url-1 = {https://doi.org/10.1021/jz3015937}}
@article { Bredas_2014 ,
Author = {Bredas, Jean-Luc},
Date-Added = {2020-05-14 13:30:22 +0200},
Date-Modified = {2020-05-14 13:30:22 +0200},
Doi = {10.1039/C3MH00098B},
File = {/Users/loos/Zotero/storage/QZ92N6TD/Bredas - 2014 - Mind the gap!.pdf},
Issn = {2051-6347, 2051-6355},
Journal = {Mater Horiz},
Language = {en},
Number = {1},
Pages = {17-19},
Title = {Mind the Gap!},
Volume = {1},
Year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1039/C3MH00098B}}
@article { Dunning_1989 ,
Author = {T. H. {Dunning, Jr.}},
Date-Added = {2020-05-14 13:26:08 +0200},
Date-Modified = {2020-05-14 13:26:08 +0200},
Doi = {10.1063/1.456153},
Journal = {J. Chem. Phys.},
Pages = {1007},
Title = {Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen},
Volume = {90},
Year = {1989},
Bdsk-Url-1 = {https://doi.org/10.1063/1.456153}}
@article { Christiansen_1995 ,
Author = {Christiansen, Ove and Koch, Henrik and J{\o}rgensen, Poul},
Date-Added = {2020-05-14 13:25:26 +0200},
Date-Modified = {2020-05-14 13:25:32 +0200},
Doi = {http://dx.doi.org/10.1063/1.470315},
Journal = {J. Chem. Phys.},
Number = {17},
Pages = {7429-7441},
Title = {Response Functions in the CC3 Iterative Triple Excitation Model},
Url = {http://scitation.aip.org/content/aip/journal/jcp/103/17/10.1063/1.470315},
Volume = {103},
Year = {1995},
Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/103/17/10.1063/1.470315},
Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.470315}}
@article { Schreiber_2008 ,
Author = {Schreiber, M. and Silva-Junior, M. R. and Sauer, S. P. A. and Thiel, W.},
Date-Added = {2020-05-14 13:25:05 +0200},
Date-Modified = {2020-05-14 13:56:09 +0200},
Journal = {J. Chem. Phys.},
Pages = {134110},
Title = {Benchmarks for Electronically Excited States: CASPT2, CC2, CCSD and CC3},
Volume = {128},
Year = {2008}}
2020-05-13 10:56:22 +02:00
@inbook { Casida_1995 ,
Author = {M. E. Casida},
Date-Added = {2020-05-13 10:10:00 +0200},
Date-Modified = {2020-05-13 10:10:00 +0200},
Doi = {10.1142/9789812830586_0005},
Editor = {D. P. Chong},
Pages = {155--192},
Publisher = {World Scientific, Singapore},
Series = {Recent Advances in Density Functional Methods},
Title = {Time-Dependent Density Functional Response Theory for Molecules},
Year = {1995},
Bdsk-Url-1 = {https://doi.org/10.1142/9789812830586_0005}}
@article { Casida_1998 ,
Author = {Casida, Mark E. and Jamorski, Christine and Casida, Kim C. and Salahub, Dennis R.},
Date-Added = {2020-05-13 10:10:00 +0200},
Date-Modified = {2020-05-13 10:10:00 +0200},
Doi = {10.1063/1.475855},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = mar,
Number = {11},
Pages = {4439-4449},
Shorttitle = {Molecular Excitation Energies to High-Lying Bound States from Time-Dependent Density-Functional Response Theory},
Title = {Molecular Excitation Energies to High-Lying Bound States from Time-Dependent Density-Functional Response Theory: {{Characterization}} and Correction of the Time-Dependent Local Density Approximation Ionization Threshold},
Volume = {108},
Year = {1998},
Bdsk-Url-1 = {https://doi.org/10.1063/1.475855}}
@article { Casida_2000 ,
Author = {Casida, Mark E. and Salahub, Dennis R.},
Date-Added = {2020-05-13 10:10:00 +0200},
Date-Modified = {2020-05-13 10:10:00 +0200},
Doi = {10.1063/1.1319649},
Issn = {0021-9606, 1089-7690},
Journal = {J. Chem. Phys.},
Language = {en},
Month = nov,
Number = {20},
Pages = {8918-8935},
Shorttitle = {Asymptotic Correction Approach to Improving Approximate Exchange\textendash{}Correlation Potentials},
Title = {Asymptotic Correction Approach to Improving Approximate Exchange\textendash{}Correlation Potentials: {{Time}}-Dependent Density-Functional Theory Calculations of Molecular Excitation Spectra},
Volume = {113},
Year = {2000},
Bdsk-Url-1 = {https://doi.org/10.1063/1.1319649}}
@article { Casida_2012 ,
Author = {Casida, M.E. and Huix-Rotllant, M.},
Date-Added = {2020-05-13 10:10:00 +0200},
Date-Modified = {2020-05-13 10:10:00 +0200},
Journal = {Annu. Rev. Phys. Chem.},
Pages = {287},
Title = {Progress in Time-Dependent Density-Functional Theory},
Volume = {63},
Year = {2012}}
@article { Huix-Rotllant_2010 ,
Author = {{Huix-Rotllant}, Miquel and Natarajan, Bhaarathi and Ipatov, Andrei and Muhavini Wawire, C. and Deutsch, Thierry and Casida, Mark E.},
Date-Added = {2020-05-13 10:10:00 +0200},
Date-Modified = {2020-05-13 10:10:00 +0200},
Doi = {10.1039/c0cp00273a},
Issn = {1463-9076, 1463-9084},
Journal = {Phys. Chem. Chem. Phys.},
Language = {en},
Number = {39},
Pages = {12811},
Title = {Assessment of Noncollinear Spin-Flip {{Tamm}}\textendash{{Dancoff}} Approximation Time-Dependent Density-Functional Theory for the Photochemical Ring-Opening of Oxirane},
Volume = {12},
Year = {2010},
Bdsk-Url-1 = {https://doi.org/10.1039/c0cp00273a}}
@article { Huix-Rotllant_2011 ,
Author = {{Huix-Rotllant}, Miquel and Ipatov, Andrei and Rubio, Angel and Casida, Mark E.},
Date-Added = {2020-05-13 10:10:00 +0200},
Date-Modified = {2020-05-13 10:10:00 +0200},
Doi = {10.1016/j.chemphys.2011.03.019},
File = {/Users/loos/Zotero/storage/A4JUV4M4/Huix-Rotllant et al. - 2011 - Assessment of dressed time-dependent density-funct.pdf},
Issn = {03010104},
Journal = {Chem. Phys.},
Language = {en},
Month = nov,
Number = {1},
Pages = {120-129},
Title = {Assessment of Dressed Time-Dependent Density-Functional Theory for the Low-Lying Valence States of 28 Organic Chromophores},
Volume = {391},
Year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1016/j.chemphys.2011.03.019}}
@article { Runge_1984 ,
Author = {Runge, E. and Gross, E. K. U.},
Date-Added = {2020-05-13 10:09:39 +0200},
Date-Modified = {2020-05-13 10:09:39 +0200},
Doi = {10.1103/PhysRevLett.52.997},
2020-05-14 15:05:20 +02:00
Journal = {Phys. Rev. Lett.},
2020-05-13 10:56:22 +02:00
Pages = {997--1000},
Title = {Density-Functional Theory for Time-Dependent Systems},
Volume = 52,
Year = 1984,
Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.52.997}}
@article { Dreuw_2005 ,
Author = {Dreuw, Andreas and Head-Gordon, Martin},
Date-Added = {2020-05-13 10:09:21 +0200},
Date-Modified = {2020-05-13 10:09:21 +0200},
Doi = {10.1021/cr0505627},
File = {/Users/loos/Zotero/storage/WKGXAHGE/Dreuw_2005.pdf},
Issn = {0009-2665, 1520-6890},
Journal = {Chem. Rev.},
Language = {en},
Month = nov,
Number = {11},
Pages = {4009--4037},
Title = {Single-{{Reference}} Ab {{Initio Methods}} for the {{Calculation}} of {{Excited States}} of {{Large Molecules}}},
Volume = {105},
Year = {2005},
Bdsk-Url-1 = {https://dx.doi.org/10.1021/cr0505627}}
@misc { Nobel_2003 ,
Author = {{{The Royal Swedish Academy of Sciences}}},
Date-Added = {2020-05-13 10:00:08 +0200},
Date-Modified = {2020-05-13 10:02:28 +0200},
Howpublished = {Press release},
Month = {Oct},
Title = {The Nobel Prize in Chemistry 2013},
Year = {2013}}
2020-04-17 20:05:55 +02:00
@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}}
2020-04-16 23:24:24 +02:00
@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}}
2020-04-16 09:11:56 +02:00
2020-04-16 23:24:24 +02:00
@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}}
2020-04-16 09:11:56 +02:00
@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 ,
2020-04-16 23:24:24 +02:00
Author = {Behnam Farid},
Editor = {N.H. March},
Publisher = {Imperial College Press, London},
Title = {Electron Correlation in the Solid State - Chapter 3},
Year = {1999}}
2020-04-16 09:11:56 +02:00
@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}}
2020-04-17 20:01:49 +02:00
@article { Perdew_1983 ,
2020-04-17 20:05:55 +02:00
Author = {Perdew, John P. and Levy, Mel},
Doi = {10.1103/PhysRevLett.51.1884},
Issue = {20},
Journal = {Phys. Rev. Lett.},
Month = {Nov},
Numpages = {0},
Pages = {1884--1887},
Publisher = {American Physical Society},
Title = {Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1884},
Volume = {51},
Year = {1983},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1884},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.51.1884}}
2020-04-17 20:01:49 +02:00
@article { Sham_1983 ,
2020-04-17 20:05:55 +02:00
Author = {Sham, L. J. and Schl\"uter, M.},
Doi = {10.1103/PhysRevLett.51.1888},
Issue = {20},
Journal = {Phys. Rev. Lett.},
Month = {Nov},
Numpages = {0},
Pages = {1888--1891},
Publisher = {American Physical Society},
Title = {Density-Functional Theory of the Energy Gap},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1888},
Volume = {51},
Year = {1983},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1888},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.51.1888}}
2020-04-17 20:01:49 +02:00
2020-04-16 09:11:56 +02:00
@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},
2020-04-17 20:01:49 +02:00
Title = {Self-Energy Operators and Exchange-Correlation Potentials in Semiconductors},
2020-04-16 09:11:56 +02:00
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},
2020-04-17 20:01:49 +02:00
Title = {Precise Quasiparticle Energies and Hartree-Fock Bands of Semiconductors and Insulators},
2020-04-16 09:11:56 +02:00
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 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-17 20:01:49 +02:00
@article { Northrup_1991 ,
2020-04-17 20:05:55 +02:00
Author = {Northrup, John E. and Hybertsen, Mark S. and Louie, Steven G.},
Doi = {10.1103/PhysRevLett.66.500},
Issue = {4},
Journal = {Phys. Rev. Lett.},
Month = {Jan},
Numpages = {0},
Pages = {500--503},
Publisher = {American Physical Society},
Title = {Many-body Calculation of the Surface-State Energies for Si(111)2\ifmmode\times\else\texttimes\fi{}1},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.66.500},
Volume = {66},
Year = {1991},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.66.500},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.66.500}}
2020-04-17 20:01:49 +02:00
@article { Blase_1994 ,
2020-04-17 20:05:55 +02:00
Author = {Blase, X. and Zhu, Xuejun and Louie, Steven G.},
Doi = {10.1103/PhysRevB.49.4973},
Issue = {7},
Journal = {Phys. Rev. B},
Month = {Feb},
Numpages = {0},
Pages = {4973--4980},
Publisher = {American Physical Society},
Title = {Self-Energy Effects on the Surface-State Energies of H-Si(111)1\ifmmode\times\else\texttimes\fi{}1},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.49.4973},
Volume = {49},
Year = {1994},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.49.4973},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.49.4973}}
2020-04-17 20:01:49 +02:00
@article { Blase_1995 ,
2020-04-17 20:05:55 +02:00
Author = {Blase, X. and Rubio, Angel and Louie, Steven G. and Cohen, Marvin L.},
Doi = {10.1103/PhysRevB.51.6868},
Issue = {11},
Journal = {Phys. Rev. B},
Month = {Mar},
Numpages = {0},
Pages = {6868--6875},
Publisher = {American Physical Society},
Title = {Quasiparticle Band Structure of Bulk Hexagonal Boron Nitride and Related Systems},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.51.6868},
Volume = {51},
Year = {1995},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.51.6868},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.51.6868}}
2020-04-17 20:01:49 +02:00
@article { Rohlfing_1995 ,
2020-04-17 20:05:55 +02:00
Author = {Rohlfing, Michael and Kr{\"u}ger, Peter and Pollmann, Johannes},
Doi = {10.1103/PhysRevB.52.1905},
Issue = {3},
Journal = {Phys. Rev. B},
Month = {Jul},
Numpages = {0},
Pages = {1905--1917},
Publisher = {American Physical Society},
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},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.52.1905},
Volume = {52},
Year = {1995},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.52.1905},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.52.1905}}
2020-04-17 20:01:49 +02:00
@article { Verdozzi_1995 ,
2020-04-17 20:05:55 +02:00
Author = {Verdozzi, C. and Godby, R. W. and Holloway, S.},
Doi = {10.1103/PhysRevLett.74.2327},
Issue = {12},
Journal = {Phys. Rev. Lett.},
Month = {Mar},
Numpages = {0},
Pages = {2327--2330},
Publisher = {American Physical Society},
Title = {Evaluation of $\mathit{GW}$ Approximations for the Self-Energy of a Hubbard Cluster},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.74.2327},
Volume = {74},
Year = {1995},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.74.2327},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.74.2327}}
2020-04-17 20:01:49 +02:00
@article { Campillo_1999 ,
2020-04-17 20:05:55 +02:00
Author = {Campillo, I. and Pitarke, J. M. and Rubio, A. and Zarate, E. and Echenique, P. M.},
Doi = {10.1103/PhysRevLett.83.2230},
Issue = {11},
Journal = {Phys. Rev. Lett.},
Month = {Sep},
Numpages = {0},
Pages = {2230--2233},
Publisher = {American Physical Society},
Title = {Inelastic Lifetimes of Hot Electrons in Real Metals},
Url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.2230},
Volume = {83},
Year = {1999},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.83.2230},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.83.2230}}
2020-04-17 20:01:49 +02:00
2020-04-16 23:24:24 +02:00
@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}}
2020-04-16 09:11:56 +02:00
@book { ReiningBook ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Salpeter_1951 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Sham_1966 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Onida_1995 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Albrecht_1997 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Rohlfing_1998 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Benedict_1998 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Rohlfing_1999 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Rohlfing_2000 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Delerue_2000 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Ren_2012 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Leng_2016 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Bruneval_2015 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Jacquemin_2015b ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Hirose_2015 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Jacquemin_2017 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Azarias_2017 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Krause_2017 ,
2020-04-16 23:24:24 +02:00
Abstract = {A software update solving the Bethe−
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−
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}}
2020-04-16 09:11:56 +02:00
@article { Gui_2018 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Dreuw_2004 ,
2020-04-16 23:24:24 +02:00
Author = {Dreuw, Andreas and Head-Gordon, Martin},
2020-04-17 20:05:55 +02:00
Date-Modified = {2020-04-17 20:05:23 +0200},
2020-04-16 23:24:24 +02:00
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},
2020-04-17 20:05:55 +02:00
Title = {Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin-Bacteriochlorin and Bacteriochlorophyll-Spheroidene Complexes},
2020-04-16 23:24:24 +02:00
Url = {https://doi.org/10.1021/ja039556n},
Volume = {126},
Year = {2004},
Bdsk-Url-1 = {https://doi.org/10.1021/ja039556n}}
2020-04-16 09:11:56 +02:00
@article { Duchemin_2012 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Baumeier_2012 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Ziaei_2016 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Hirose_2017 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Hummer_2004 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Hummer_2005 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Cudazzo_2010 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Sharifzadeh_2013 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Cudazzo_2013 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
2020-05-16 09:36:36 +02:00
@article { Romaniello_2009b ,
2020-04-16 23:24:24 +02:00
Author = {Romaniello,P. and Sangalli,D. and Berger,J. A. and Sottile,F. and Molinari,L. G. and Reining,L. and Onida,G.},
2020-05-16 09:36:36 +02:00
Date-Modified = {2020-05-16 08:57:57 +0200},
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Ma_2009 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Zhang_2013 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Rebolini_2016 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Olevano_2019 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Olovsson_2009 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Vinson_2011 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Almlof_1991 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Haser_1992 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Rojas_1995 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Walker_2006 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Bruneval_2008 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Fuchs_2008 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Giustino_2010 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Umari_2010 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Ljungberg_2015 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Seeger_1977 ,
2020-04-16 23:24:24 +02:00
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‐
Url = {https://doi.org/10.1063/1.434318},
Volume = {66},
Year = {1977},
Bdsk-Url-1 = {https://doi.org/10.1063/1.434318}}
2020-04-16 09:11:56 +02:00
@article { Bauernschmitt_1996 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Sears_2011 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Jacquemin_2017b ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Rangel_2017 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Olsen_2014 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-16 09:11:56 +02:00
@article { Kaczmarski_2010 ,
2020-04-16 23:24:24 +02:00
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}}
2020-04-17 20:01:49 +02:00
@article { Rangel_2016 ,
2020-04-17 20:05:55 +02:00
Author = {Rangel, Tonatiuh and Hamed, Samia M. and Bruneval, Fabien and Neaton, Jeffrey B.},
Doi = {10.1021/acs.jctc.6b00163},
Eprint = {https://doi.org/10.1021/acs.jctc.6b00163},
Journal = {J. Chem. Theory Comput.},
Note = {PMID: 27123935},
Number = {6},
Pages = {2834-2842},
Title = {Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes},
Url = {https://doi.org/10.1021/acs.jctc.6b00163},
Volume = {12},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b00163}}
2020-04-17 20:01:49 +02:00
@article { Bruneval_2013 ,
2020-04-17 20:05:55 +02:00
Author = {Bruneval, Fabien and Marques, Miguel A. L.},
Doi = {10.1021/ct300835h},
Eprint = {https://doi.org/10.1021/ct300835h},
Journal = {J. Chem. Theory Comput.},
Note = {PMID: 26589035},
Number = {1},
Pages = {324-329},
Title = {Benchmarking the Starting Points of the GW Approximation for Molecules},
Url = {https://doi.org/10.1021/ct300835h},
Volume = {9},
Year = {2013},
Bdsk-Url-1 = {https://doi.org/10.1021/ct300835h}}
2020-04-17 20:01:49 +02:00
@article { Knight_2016 ,
2020-04-17 20:05:55 +02:00
Author = {Knight, Joseph W. and Wang, Xiaopeng and Gallandi, Lukas and Dolgounitcheva, Olga and Ren, Xinguo and Ortiz, J. Vincent and Rinke, Patrick and K{\"o}rzd{\"o}rfer, Thomas and Marom, Noa},
Doi = {10.1021/acs.jctc.5b00871},
Eprint = {https://doi.org/10.1021/acs.jctc.5b00871},
Journal = {J. Chem. Theory Comput.},
Note = {PMID: 26731609},
Number = {2},
Pages = {615-626},
Title = {Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods},
Url = {https://doi.org/10.1021/acs.jctc.5b00871},
Volume = {12},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00871}}
2020-04-17 20:01:49 +02:00
@article { Kaplan_2016 ,
2020-04-17 20:05:55 +02:00
Author = {Kaplan, F. and Harding, M. E. and Seiler, C. and Weigend, F. and Evers, F. and van Setten, M. J.},
Doi = {10.1021/acs.jctc.5b01238},
Eprint = {https://doi.org/10.1021/acs.jctc.5b01238},
Journal = {J. Chem. Theory Comput.},
Note = {PMID: 27168352},
Number = {6},
Pages = {2528-2541},
Title = {Quasi-Particle Self-Consistent GW for Molecules},
Url = {https://doi.org/10.1021/acs.jctc.5b01238},
Volume = {12},
Year = {2016},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b01238}}
2020-04-17 20:01:49 +02:00
@article { Korbel_2014 ,
2020-04-17 20:05:55 +02:00
Author = {K{\"{o}}rbel, Sabine and Boulanger, Paul and Duchemin, Ivan and Blase, Xavier and Marques, Miguel A. L. and Botti, Silvana},
Doi = {10.1021/ct5003658},
Eprint = {https://doi.org/10.1021/ct5003658},
Journal = {J. Chem. Theory Comput.},
Note = {PMID: 26588537},
Number = {9},
Pages = {3934-3943},
Title = {Benchmark Many-Body GW and Bethe--Salpeter Calculations for Small Transition Metal Molecules},
Url = {https://doi.org/10.1021/ct5003658},
Volume = {10},
Year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1021/ct5003658}}
2020-04-17 20:01:49 +02:00
2020-05-14 23:03:43 +02:00
@article { Blase_2011 ,
2020-04-17 20:05:55 +02:00
Author = {Blase,X. and Attaccalite,C.},
2020-05-14 23:03:43 +02:00
Date-Modified = {2020-05-14 22:23:02 +0200},
2020-04-17 20:05:55 +02:00
Doi = {10.1063/1.3655352},
Eprint = {https://doi.org/10.1063/1.3655352},
Journal = {Appl. Phys. Lett.},
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}}
2020-04-17 20:01:49 +02:00
@article { Stein_2009 ,
2020-04-17 20:05:55 +02:00
Author = {Stein, Tamar and Kronik, Leeor and Baer, Roi},
Doi = {10.1021/ja8087482},
Eprint = {https://doi.org/10.1021/ja8087482},
Journal = {J. Am. Chem. Soc.},
Note = {PMID: 19239266},
Number = {8},
Pages = {2818-2820},
Title = {Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory},
Url = {https://doi.org/10.1021/ja8087482},
Volume = {131},
Year = {2009},
Bdsk-Url-1 = {https://doi.org/10.1021/ja8087482}}
2020-04-17 20:01:49 +02:00
2020-04-17 20:05:55 +02:00
@article { Garniron_2018 ,
Author = {Y. Garniron and A. Scemama and E. Giner and M. Caffarel and P. F. Loos},
Date-Added = {2018-11-29 14:23:11 +0100},
Date-Modified = {2018-11-29 14:23:11 +0100},
Doi = {10.1063/1.5044503},
Journal = {J. Chem. Phys.},
Pages = {064103},
Title = {Selected Configuration Interaction Dressed by Perturbation},
Volume = {149},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5044503}}
2020-05-13 09:54:18 +02:00
@article { Botti_2004 ,
2020-05-13 10:56:22 +02:00
Author = {Botti, Silvana and Sottile, Francesco and Vast, Nathalie and Olevano, Valerio and Reining, Lucia and Weissker, Hans-Christian and Rubio, Angel and Onida, Giovanni and Del Sole, Rodolfo and Godby, R. W.},
Doi = {10.1103/PhysRevB.69.155112},
Issue = {15},
Journal = {Phys. Rev. B},
Month = {Apr},
Numpages = {14},
Pages = {155112},
Publisher = {American Physical Society},
Title = {Long-Range Contribution to the Exchange-Correlation Kernel of Time-Dependent Density Functional Theory},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.69.155112},
Volume = {69},
Year = {2004},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.69.155112},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.69.155112}}
2020-05-13 09:54:18 +02:00
@article { Kaltak_2014 ,
2020-05-13 10:56:22 +02:00
Author = {Kaltak, Merzuk and Klime\v{s}, Ji\v{i}\'{i} and Kresse, Georg},
Doi = {10.1021/ct5001268},
Eprint = {https://doi.org/10.1021/ct5001268},
Journal = {Journal of Chemical Theory and Computation},
Note = {PMID: 26580770},
Number = {6},
Pages = {2498-2507},
Title = {Low Scaling Algorithms for the Random Phase Approximation: Imaginary Time and Laplace Transformations},
Url = {https://doi.org/10.1021/ct5001268},
Volume = {10},
Year = {2014},
Bdsk-Url-1 = {https://doi.org/10.1021/ct5001268}}
2020-05-13 09:54:18 +02:00
@article { Liu_2016 ,
2020-05-13 10:56:22 +02:00
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},
Doi = {10.1103/PhysRevB.94.165109},
Issue = {16},
Journal = {Phys. Rev. B},
Month = {Oct},
Numpages = {13},
Pages = {165109},
Publisher = {American Physical Society},
Title = {Cubic Scaling $GW$: Towards Fast Quasiparticle Calculations},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.94.165109},
Volume = {94},
Year = {2016},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.94.165109},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.94.165109}}
2020-05-13 09:54:18 +02:00
@article { Duchemin_2019 ,
2020-05-13 10:56:22 +02:00
Author = {Duchemin,Ivan and Blase,Xavier},
Doi = {10.1063/1.5090605},
Eprint = {https://doi.org/10.1063/1.5090605},
Journal = {J. Chem. Phys.},
Number = {17},
Pages = {174120},
Title = {Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA},
Url = {https://doi.org/10.1063/1.5090605},
Volume = {150},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1063/1.5090605}}
2020-05-13 09:54:18 +02:00
@article { Lu_2017 ,
2020-05-13 10:56:22 +02:00
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.},
Author = {Jianfeng Lu and Kyle Thicke},
Doi = {https://doi.org/10.1016/j.jcp.2017.09.012},
Issn = {0021-9991},
Journal = {J. Comput. Phys.},
Keywords = {Electronic structure theory, Density fitting, Random phase approximation, Fast algorithms, Contour integral},
Pages = {187 - 202},
Title = {Cubic Scaling Algorithms for RPA Correlation Using Interpolative Separable Density Fitting},
Url = {http://www.sciencedirect.com/science/article/pii/S002199911730671X},
Volume = {351},
Year = {2017},
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S002199911730671X},
Bdsk-Url-2 = {https://doi.org/10.1016/j.jcp.2017.09.012}}
2020-05-13 09:54:18 +02:00
@article { Yabana_1996 ,
2020-05-13 10:56:22 +02:00
Author = {Yabana, K. and Bertsch, G. F.},
Doi = {10.1103/PhysRevB.54.4484},
Issue = {7},
Journal = {Phys. Rev. B},
Month = {Aug},
Numpages = {0},
Pages = {4484--4487},
Publisher = {American Physical Society},
Title = {Time-Dependent Local-Density Approximation in Real Time},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.54.4484},
Volume = {54},
Year = {1996},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.54.4484},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.54.4484}}
2020-05-13 09:54:18 +02:00
@article { Rabani_2015 ,
2020-05-13 10:56:22 +02:00
Author = {Rabani, Eran and Baer, Roi and Neuhauser, Daniel},
Doi = {10.1103/PhysRevB.91.235302},
Issue = {23},
Journal = {Phys. Rev. B},
Month = {Jun},
Numpages = {10},
Pages = {235302},
Publisher = {American Physical Society},
Title = {Time-Dependent Stochastic Bethe-Salpeter Approach},
Url = {https://link.aps.org/doi/10.1103/PhysRevB.91.235302},
Volume = {91},
Year = {2015},
Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.91.235302},
Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.91.235302}}
2020-05-13 09:54:18 +02:00
@article { Elliott_2019 ,
2020-05-13 10:56:22 +02:00
Author = {Elliott, Joshua D. and Colonna, Nicola and Marsili, Margherita and Marzari, Nicola and Umari, Paolo},
Doi = {10.1021/acs.jctc.8b01271},
Eprint = {https://doi.org/10.1021/acs.jctc.8b01271},
Journal = {J. Chem. Theory Comput.},
Note = {PMID: 30998361},
Number = {6},
Pages = {3710-3720},
Title = {Koopmans Meets Bethe--Salpeter: Excitonic Optical Spectra without GW},
Url = {https://doi.org/10.1021/acs.jctc.8b01271},
Volume = {15},
Year = {2019},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b01271}}
2020-05-13 09:54:18 +02:00
@article { Vlcek_2017 ,
2020-05-13 10:56:22 +02:00
Author = {Vl\v{c}ek, Vojt\v{e}ch and Rabani, Eran and Neuhauser, Daniel and Baer, Roi},
Doi = {10.1021/acs.jctc.7b00770},
Eprint = {https://doi.org/10.1021/acs.jctc.7b00770},
Journal = {J. Chem. Theory Comput.},
Note = {PMID: 28876912},
Number = {10},
Pages = {4997-5003},
Title = {Stochastic GW Calculations for Molecules},
Url = {https://doi.org/10.1021/acs.jctc.7b00770},
Volume = {13},
Year = {2017},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00770}}
2020-05-13 09:54:18 +02:00
@article { Wilhelm_2018 ,
2020-05-13 10:56:22 +02:00
Author = {Wilhelm, Jan and Golze, Dorothea and Talirz, Leopold and Hutter, J{\"u}rg and Pignedoli, Carlo A.},
Doi = {10.1021/acs.jpclett.7b02740},
Eprint = {https://doi.org/10.1021/acs.jpclett.7b02740},
Journal = {The Journal of Physical Chemistry Letters},
Note = {PMID: 29280376},
Number = {2},
Pages = {306-312},
Title = {Toward GW Calculations on Thousands of Atoms},
Url = {https://doi.org/10.1021/acs.jpclett.7b02740},
Volume = {9},
Year = {2018},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.7b02740}}
2020-05-13 09:54:18 +02:00
@article { Foerster_2011 ,
2020-05-13 10:56:22 +02:00
Author = {Foerster,D. and Koval,P. and S{\'a}nchez-Portal,D.},
Doi = {10.1063/1.3624731},
Eprint = {https://doi.org/10.1063/1.3624731},
Journal = {J. Chem. Phys.},
Number = {7},
Pages = {074105},
Title = {An O(N3) implementation of Hedin's GW approximation for molecules},
Url = {https://doi.org/10.1063/1.3624731},
Volume = {135},
Year = {2011},
Bdsk-Url-1 = {https://doi.org/10.1063/1.3624731}}
2020-05-13 09:54:18 +02:00
@article { Gao_2020 ,
2020-05-13 10:56:22 +02:00
Author = {Gao, Weiwei and Chelikowsky, James R.},
Doi = {10.1021/acs.jctc.9b01025},
Eprint = {https://doi.org/10.1021/acs.jctc.9b01025},
Journal = {J. Chem. Theory Comput.},
Note = {PMID: 32074452},
Number = {4},
Pages = {2216-2223},
Title = {Accelerating Time-Dependent Density Functional Theory and GW Calculations for Molecules and Nanoclusters with Symmetry Adapted Interpolative Separable Density Fitting},
Url = {https://doi.org/10.1021/acs.jctc.9b01025},
Volume = {16},
Year = {2020},
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b01025}}
