12015 lines
337 KiB
BibTeX
12015 lines
337 KiB
BibTeX
%% This BibTeX bibliography file was created using BibDesk.
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%% Created for Pierre-Francois Loos at 2019-10-08 22:10:37 +0200
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%% Saved with string encoding Unicode (UTF-8)
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@article{LooPraSceTouGin-JPCL-19,
|
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Author = {P. F. Loos and B. Pradines and A. Scemama and J. Toulouse and E. Giner},
|
||
Date-Added = {2019-10-08 22:09:00 +0200},
|
||
Date-Modified = {2019-10-08 22:09:00 +0200},
|
||
Doi = {10.1021/acs.jpclett.9b01176},
|
||
Journal = {J. Phys. Chem. Lett.},
|
||
Pages = {2931--2937},
|
||
Title = {A Density-Based Basis-Set Correction for Wave Function Theory},
|
||
Volume = {10},
|
||
Year = {2019},
|
||
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.9b01176}}
|
||
|
||
@article{KonBisVal-CR-12,
|
||
Author = {L. Kong and F. A. Bischo and E. F. Valeev},
|
||
Date-Added = {2019-10-08 21:54:53 +0200},
|
||
Date-Modified = {2019-10-08 21:54:53 +0200},
|
||
Doi = {10.1021/cr200204r},
|
||
Journal = {Chem. Rev.},
|
||
Pages = {75},
|
||
Title = {Explicitly Correlated R12/F12 Methods for Electronic Structure},
|
||
Volume = {112},
|
||
Year = {2012},
|
||
Bdsk-Url-1 = {https://doi.org/10.1021/cr200204r}}
|
||
|
||
@article{GruHirOhnTen-JCP-17,
|
||
Author = {A. Gr\"uneis and S. Hirata and Y.-Y. Ohnishi and S. Ten-no},
|
||
Date-Added = {2019-10-08 21:52:30 +0200},
|
||
Date-Modified = {2019-10-08 21:52:30 +0200},
|
||
Doi = {10.1063/1.4976974},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {080901},
|
||
Title = {Perspective: Explicitly Correlated Electronic Structure Theory For Complex Systems},
|
||
Volume = {146},
|
||
Year = {2017},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.4976974}}
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||
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||
@article{Ten-TCA-12,
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||
Author = {S. Ten-no},
|
||
Date-Added = {2019-10-08 21:52:30 +0200},
|
||
Date-Modified = {2019-10-08 21:52:30 +0200},
|
||
Doi = {10.1007/s00214-011-1070-1},
|
||
Journal = {Theor. Chem. Acc.},
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||
Pages = {1070},
|
||
Title = {Explicitly correlated wave functions: summary and perspective},
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||
Volume = {131},
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||
Year = {2012},
|
||
Bdsk-Url-1 = {https://doi.org/10.1007/s00214-011-1070-1}}
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||
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||
@article{TenNog-WIREs-12,
|
||
Author = {S. Ten-no and J. Noga},
|
||
Date-Added = {2019-10-08 21:52:30 +0200},
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||
Date-Modified = {2019-10-08 21:52:30 +0200},
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||
Doi = {10.1002/wcms.68},
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||
Journal = {WIREs Comput. Mol. Sci.},
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||
Pages = {114},
|
||
Title = {Explicitly Correlated Electronic Structure Theory From R12/F12 Ansatze},
|
||
Volume = {2},
|
||
Year = {2012},
|
||
Bdsk-Url-1 = {https://doi.org/10.1002/wcms.68}}
|
||
|
||
@article{Tenno-CPL-04,
|
||
Abstract = {We employ the Slater-type function as a geminal basis function to incorporate the inter-electron distance in explicitly correlated theory. It is shown that the use of the Slater-type geminals confers numerical and computational advantages over the previous explicitly correlated methods. The performance of the resulting method is examined in some benchmark calculations at the second order M{\o}ller--Plesset perturbation theory. The results reveal that the Slater-type function is promising compared to the ordinary Gaussian-type geminals and linear r12 function.},
|
||
Author = {Seiichiro Ten-no},
|
||
Date-Added = {2019-10-08 21:52:19 +0200},
|
||
Date-Modified = {2019-10-08 21:52:19 +0200},
|
||
Doi = {https://doi.org/10.1016/j.cplett.2004.09.041},
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||
Issn = {0009-2614},
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||
Journal = {Chem. Phys. Lett.},
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||
Number = {1},
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||
Pages = {56 - 61},
|
||
Title = {Initiation Of Explicitly Correlated Slater-Type Geminal Theory},
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||
Url = {http://www.sciencedirect.com/science/article/pii/S000926140401379X},
|
||
Volume = {398},
|
||
Year = {2004},
|
||
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S000926140401379X},
|
||
Bdsk-Url-2 = {https://doi.org/10.1016/j.cplett.2004.09.041}}
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@article{Hyl-ZP-29,
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Author = {E. A. Hylleraas},
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Date-Added = {2019-10-08 21:51:49 +0200},
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Date-Modified = {2019-10-08 21:51:49 +0200},
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Journal = {Z. Phys.},
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Pages = {347},
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||
Title = {Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-Helium},
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||
Volume = {54},
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||
Year = {1929}}
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@article{BooCleAlaTew-JCP-2012,
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Author = {G. H. Booth and D. Cleland and A. Alavi and D. P. Tew},
|
||
Date-Added = {2019-10-08 21:49:57 +0200},
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||
Date-Modified = {2019-10-08 21:49:57 +0200},
|
||
Doi = {10.1063/1.4762445},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {164112},
|
||
Title = {An Explicitly Correlated Approach To Basis Set Incompleteness In Full Configuration Interaction Quantum Monte Carlo},
|
||
Volume = {137},
|
||
Year = {2012},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.4762445}}
|
||
|
||
@article{KesSylKohTewMar-JCP-18,
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||
Author = {M. K. Kesharwani and N. Sylvetsky and A. Kohn and D. P. Tew and Jan M. L. Martin},
|
||
Date-Added = {2019-10-08 21:49:57 +0200},
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||
Date-Modified = {2019-10-08 21:49:57 +0200},
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||
Doi = {10.1063/1.5048665},
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||
Journal = {J. Chem. Phys.},
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||
Pages = {154109},
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||
Title = {Do CCSD And Approximate CCSD-F12 Variants Converge To The Same Basis Set Limits? The Case Of Atomization Energies And Approximate Ccsd-F12 Variants Converge To The Same Basis Set Limits? The Case Of Atomization Energies},
|
||
Volume = {149},
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||
Year = {2018},
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||
Bdsk-Url-1 = {https://doi.org/10.1063/1.5048665}}
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@article{HatKloKohTew-CR-12,
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Author = {C. Hattig and W. Klopper and A. Kohn and D. P. Tew},
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||
Date-Added = {2019-10-08 21:49:57 +0200},
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||
Date-Modified = {2019-10-08 21:49:57 +0200},
|
||
Doi = {10.1021/cr200168z},
|
||
Journal = {Chem. Rev.},
|
||
Pages = {4},
|
||
Title = {Explicitly Correlated Electrons in Molecules},
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||
Volume = {112},
|
||
Year = {2012},
|
||
Bdsk-Url-1 = {https://doi.org/10.1021/cr200168z}}
|
||
|
||
@article{GinTewGarAla-JCTC-18,
|
||
Author = {Giner, Emmanuel and Tew, David P. and Garniron, Yann and Alavi, Ali},
|
||
Date-Added = {2019-10-08 21:49:57 +0200},
|
||
Date-Modified = {2019-10-08 21:49:57 +0200},
|
||
Doi = {10.1021/acs.jctc.8b00591},
|
||
Eprint = {https://doi.org/10.1021/acs.jctc.8b00591},
|
||
Journal = {Journal of Chemical Theory and Computation},
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||
Note = {PMID: 30347156},
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||
Number = {12},
|
||
Pages = {6240-6252},
|
||
Title = {Interplay between Electronic Correlation and Metal--Ligand Delocalization in the Spectroscopy of Transition Metal Compounds: Case Study on a Series of Planar Cu2+ Complexes},
|
||
Url = {https://doi.org/10.1021/acs.jctc.8b00591},
|
||
Volume = {14},
|
||
Year = {2018},
|
||
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00591}}
|
||
|
||
@article{Tew-JCP-08,
|
||
Author = {D. P. Tew},
|
||
Date-Added = {2019-10-08 21:49:57 +0200},
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||
Date-Modified = {2019-10-08 21:49:57 +0200},
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||
Doi = {10.1063/1.2945900},
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Journal = {J. Chem. Phys.},
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Pages = {014104},
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||
Title = {Second-order coalescence conditions of molecular wave functions},
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Volume = {129},
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Year = {2008},
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||
Bdsk-Url-1 = {https://doi.org/10.1063/1.2945900}}
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@article{FliHatKlo-JCP-06,
|
||
Author = {H. Fliegl and C. Hattig and W. Klopper},
|
||
Date-Added = {2019-10-08 21:49:49 +0200},
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Date-Modified = {2019-10-08 21:49:49 +0200},
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Doi = {10.1063/1.2161183},
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Journal = {J. Chem. Phys.},
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Pages = {044112},
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Title = {Coupled-cluster response theory with linear-r12 corrections: The CC2-R12 model for excitation energies},
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Volume = {124},
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Year = {2006},
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Bdsk-Url-1 = {https://doi.org/10.1063/1.2161183%F4%8F%B0%83}}
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@misc{Dal-PROG-11,
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Author = {C. Angeli and K. L. Bak and V. Bakken and O. Christiansen and R. Cimiraglia and S. Coriani and P. Dahle and E. K. Dalskov and T. Enevoldsen and B. Fernandez and L. Ferrighi and L. Frediani and C. H\"{a}ttig and K. Hald and A. Halkier and H. Heiberg and T. Helgaker and H. Hettema and B. Jansik and H. J. Aa. Jensen and D. Jonsson and P. J\{\o}rgensen and S. Kirpekar and W. Klopper and S. Knecht and R. Kobayashi and J. Kongsted and H. Koch and A. Ligabue and O. B. Lutn{\ae}s and K. V. Mikkelsen and C. B. Nielsen and P. Norman and J. Olsen and A. Osted and M. J. Packer and T. B. Pedersen and Z. Rinkevicius and E. Rudberg and T. A. Ruden and K. Ruud and P. Salek and C. C. M. Samson and A. Sanchez de Meras and T. Saue and S. P. A. Sauer and B. Schimmelpfennig and A. H. Steindal and K. O. Sylvester-Hvid and P. R. Taylor and O. Vahtras and D. J. Wilson and H.{\AA}gren},
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Date-Added = {2019-10-08 21:49:49 +0200},
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||
Date-Modified = {2019-10-08 21:49:49 +0200},
|
||
Title = {DALTON, a molecular electronic structure program, Release DALTON2011 (2011), see http://daltonprogram.org}}
|
||
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||
@article{NeiHatKlo-JCP-06,
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||
Author = {C. Neiss and C. Hattig and W. Klopper},
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Date-Added = {2019-10-08 21:49:49 +0200},
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Date-Modified = {2019-10-08 21:49:49 +0200},
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Doi = {10.1063/1.2335443},
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Journal = {J. Chem. Phys.},
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Title = {Extensions of r12 corrections to CC2-R12 for excited states},
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Bdsk-Url-1 = {https://doi.org/10.1063/1.2335443%F4%8F%B0%83}}
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@article{HauKlo-JCP-12,
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Author = {Haunschild, Robin and Klopper, Wim},
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Date-Added = {2019-10-08 21:49:49 +0200},
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Date-Modified = {2019-10-08 21:49:49 +0200},
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@article{TewKloNeiHat-PCCP-07,
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Author = {D. P. Tew and W. Klopper and C. Neiss and C. Hattig},
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Date-Added = {2019-10-08 21:49:49 +0200},
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Bdsk-Url-1 = {https://doi.org/10.1039/b617230j}}
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@article{HofSchKloKoh-JCP-19,
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Author = {S. Hofener and N. Schieschke and W. Klopper and A. Kohn},
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Date-Added = {2019-10-08 21:49:49 +0200},
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Title = {The extended explicitly-correlated second- order approximate coupled-cluster singles and doubles ansatz suitable for response theory},
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Year = {2019},
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Bdsk-Url-1 = {https://doi.org/10.1063/1.5094434}}
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@article{KutKlo-JCP-91,
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Author = {W. Kutzelnigg and W. Klopper},
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Date-Added = {2019-10-08 21:49:49 +0200},
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@article{AidMogNilJohMikChrSodKon-JCP-08,
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Author = {K. Aidas and A. M{\o}gelh{\o}j and E. J. K. Nilsson and M. S. Johnson and K. V. Mikkelsen and O. Christiansen and P. S\"oderhjelm and J. Kongsted},
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Pages = {194503},
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Year = {2008}}
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@article{AlaDeuKneFro-JCP-17,
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Journal = {J. Chem. Phys.},
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Pages = {204105},
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Volume = {147},
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Year = {2017}}
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Year = {2012}}
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@article{AlaKneFro-PRA-16,
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Author = {M. Mehboob Alam and S. Knecht and E. Fromager},
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Journal = {Phys. Rev. A},
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Pages = {012511},
|
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Volume = {94},
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Year = {2016}}
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@article{AleCol-JMS-99,
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Author = {S. A. Alexander and R. L. Coldwell},
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Journal = {J. Mol. Struct. (Theochem)},
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||
Pages = {67},
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Volume = {487},
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Year = {1999}}
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@article{AliDux-MP-90,
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||
Author = {A. Alijah and G. Duxbury},
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Journal = {Mol. Phys.},
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||
Pages = {605},
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Volume = {70},
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Year = {1990}}
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@article{Ali-JPCA-13,
|
||
Author = {Mojtaba Alipour},
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Journal = {J. Phys. Chem. A},
|
||
Pages = {2884},
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Volume = {117},
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Year = {2013}}
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@article{AllKnoTie-PRA-02,
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Author = {O. Allard and A. Pashov and H. Kn\"ockel and E. Tiemann},
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Journal = {Phys. Rev. A},
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Pages = {042503},
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Volume = {66},
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Year = {2002}}
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@misc{AngGerSavTou-JJJ-XXa,
|
||
Author = {J. G. \'Angy\'an and I. Gerber and A. Savin and J. Toulouse},
|
||
Note = {in preparation},
|
||
Volume = {{}}}
|
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|
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@misc{AngGerSavTou-JJJ-XX,
|
||
Author = {J. G. \'Angy\'an and I. Gerber and A. Savin and J. Toulouse},
|
||
Note = {in preparation},
|
||
Volume = {{}}}
|
||
|
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@misc{AngLiuTouJan-JJJ-XX,
|
||
Author = {J. G. \'Angyan and R.-F. Liu and J. Toulouse and G. Jansen},
|
||
Note = {J. Chem. Theory Comput., in press.}}
|
||
|
||
@article{BraTouCafUmr-JCP-11,
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||
Author = {B. Bra\"ida and J. Toulouse and M. Caffarel and C. J. Umrigar},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {084108},
|
||
Title = {Quantum Monte Carlo with Jastrow-valence-bond wave functions},
|
||
Volume = {134},
|
||
Year = {2011}}
|
||
|
||
@misc{BraTouCafUmr-JJJ-XX-note2,
|
||
Note = {In our BOVB wave functions, we use different sets of orbital coefficients, but a single set of basis exponents shared by all orbital sets.}}
|
||
|
||
@misc{BraTouCafUmr-JJJ-XX-note3,
|
||
Note = {Bouab\c{c}a {\it et al.}~\cite{BouBraCaf-JCP-10} have introduced a wave function with several Jastrow factors attached to individual molecular orbitals. With such a wave function, the correlation effects can be treated differently in atomic and binding regions. In the case of the FH molecule, no atomic core Jastrow was used and two different valence Jastrow factors (one for the lone pairs paying a role in the bond and the other one for the $\sigma$-bond) were introduced. The resulting binding energy was essentially exact within error bars. Combining the various VB wave functions discussed in this work with this multi-Jastrow approach is presently under investigation.}}
|
||
|
||
@article{CocAssLupTou-JCP-17,
|
||
Author = {E. Coccia and R. Assaraf and E. Luppi and J. Toulouse},
|
||
Doi = {10.1063/1.4991563},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {014106},
|
||
Title = {Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets},
|
||
Volume = {147},
|
||
Year = {2017},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.4991563}}
|
||
|
||
@article{FerGinTou-JCP-19,
|
||
Author = {Anthony Fert\'e and Emmanuel Giner and Julien Toulouse},
|
||
Doi = {10.1063/1.5082638},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {084103},
|
||
Title = {Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density},
|
||
Volume = {150},
|
||
Year = {2019},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.5082638}}
|
||
|
||
@misc{FraLupTou-JJJ-XX,
|
||
Author = {O. Franck and E. Luppi and J. Toulouse},
|
||
Note = {unpublished}}
|
||
|
||
@article{FraMusLupTou-JCP-15,
|
||
Author = {O. Franck and B. Mussard and E. Luppi and J. Toulouse},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {074107},
|
||
Title = {Basis convergence of range-separated density-functional theory},
|
||
Volume = {142},
|
||
Year = {2015}}
|
||
|
||
@misc{FraMusLupTou-JJJ-XX,
|
||
Author = {O. Franck and B. Mussard and E. Luppi and J. Toulouse},
|
||
Note = {Basis convergence of range-separated density-functional theory, arXiv:1412.2613, to appear in J. Chem. Phys.}}
|
||
|
||
@misc{FraMusLupTou-JJJ-XX-note1,
|
||
Note = {Note that the partial-wave expansion of any {\it odd} power of $r_{12}$ contains an infinite number of terms. In contrast, the partial-wave expansion of any {\it even} power of $r_{12}$ terminates at a finite $\ell$.}}
|
||
|
||
@misc{FraMusLupTou-JJJ-XX-note2,
|
||
Note = {For a discussion of angular and radial correlation and the shape of the correlation hole in the He atom with the long-range interaction, see Ref.~\onlinecite{PolColLeiStoWerSav-IJQC-03}.}}
|
||
|
||
@misc{FraMusLupTou-JJJ-XX-note3,
|
||
Note = {For $\mu=1$ the difference between the long-range MP2 correlation energies for $X=5$ and $X=6$ is still as small as about 0.2 mhartree.}}
|
||
|
||
@misc{FraMusLupTou-JJJ-XX-note4,
|
||
Note = {For $r_1=r_2$, $f\lr_\ell >0$ for $\ell=0$ and $f\lr_\ell <0$ for $\ell \geq 1$.}}
|
||
|
||
@article{FroTouJen-JCP-07,
|
||
Author = {E. Fromager and J. Toulouse and H. J. Aa. Jensen},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {074111},
|
||
Title = {On the universality of the long-/short-range separation in multiconfigurational density-functional theory},
|
||
Volume = {126},
|
||
Year = {2007}}
|
||
|
||
@article{GarAppGasBenFerPaqPraAssReiTouBarRenDavMalVerCafLooGinSce-JCTC-19,
|
||
Author = {{Y. Garniron, T. Applencourt, K. Gasperich, A. Benali, A. Fert\'e, J. Paquier, B. Pradines, R. Assaraf, P. Reinhardt, J. Toulouse, P. Barbaresco, N. Renon, G. David, J.-P. Malrieu, M. V\'eril, M. Caffarel, P.-F. Loos, E. Giner, and A. Scemama}},
|
||
Doi = {10.1021/acs.jctc.9b00176},
|
||
Journal = {J. Chem. Theory Comput.},
|
||
Pages = {3591},
|
||
Title = {Quantum Package 2.0: An open-source determinant-driven suite of programs},
|
||
Volume = {15},
|
||
Year = {2019},
|
||
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00176}}
|
||
|
||
@misc{GarAppGasBenFerPaqPraAssReiTouBarRenDavMalVerCafLooGinSce-JJJ-XX,
|
||
Author = {Y. Garniron and T. Applencourt and K. Gasperich 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\'eril and M. Caffarel and P.-F. Loos and E. Giner and A. Scemama},
|
||
Note = {Quantum Package 2.0: An open-source determinant-driven suite of programs, {\it submitted to J. Chem. Theory Comput.}, \href{https://arxiv.org/abs/1902.08154}{arXiv:1902.08154}}}
|
||
|
||
@article{GorHelScuSilTou-MP-16,
|
||
Author = {Paola Gori-Giorgi and Trygve Helgaker and Gustavo Scuseria and Bernard Silvi and Julien Toulouse},
|
||
Doi = {http://dx.doi.org/./..},
|
||
Journal = {Molecular Physics},
|
||
Pages = {909},
|
||
Title = {Foreword for special issue of Molecular Physics in honour of Andreas Savin},
|
||
Volume = {114},
|
||
Year = {2016},
|
||
Bdsk-Url-1 = {http://dx.doi.org/%EF%9B%9C%EF%98%B9.%EF%9B%9C%EF%98%B9%EF%99%80%EF%98%B9/%EF%98%B9%EF%98%B9%EF%98%BA%EF%98%BE%EF%99%80%EF%99%81%EF%98%BF%EF%98%BE.%EF%98%BA%EF%98%B9%EF%9B%9C%EF%98%BE.%EF%9B%9C%EF%9B%9C%EF%98%BE%EF%98%B9%EF%98%BE%EF%98%BC%EF%98%BF}}
|
||
|
||
@article{GouTouAngDob-JCTC-17,
|
||
Author = {Tim Gould and Julien Toulouse and J\'anos G. \'Angy\'an and John F. Dobson},
|
||
Doi = {10.1021/acs.jctc.7b00996},
|
||
Journal = {J. Chem. Theory Comput.},
|
||
Pages = {5829},
|
||
Title = {Casimir--Polder Size Consistency: A Constraint Violated by Some Dispersion Theories},
|
||
Volume = {13},
|
||
Year = {2017},
|
||
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00996}}
|
||
|
||
@article{HedTouJen-JCP-18,
|
||
Author = {E. D. Hedeg{\aa}rd and J. Toulouse and H. J. Aa. Jensen},
|
||
Doi = {10.1063/1.5013306},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {214103},
|
||
Title = {Multiconfigurational short-range density-functional theory for open-shell systems},
|
||
Volume = {148},
|
||
Year = {2018},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.5013306}}
|
||
|
||
@article{KalTou-JCP-18,
|
||
Author = {C. Kalai and J. Toulouse},
|
||
Doi = {10.1063/1.5025561},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {164105},
|
||
Title = {A general range-separated double-hybrid density-functional theory},
|
||
Volume = {148},
|
||
Year = {2018},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.5025561}}
|
||
|
||
@misc{KalTou-JJJ-XX-note1,
|
||
Note = {The geometries are available in the Minnesota Database at http://comp.chem.umn.edu/db/.}}
|
||
|
||
@article{LabZapCocVenTouCaiTaiLup-JCTC-18,
|
||
Author = {Marie Labeye and Felipe Zapata and Emanuele Coccia and Val\'erie V\'eniard and Julien Toulouse and J\'er\'emie Caillat and Richard Ta\"{\i}eb and Eleonora Luppi},
|
||
Doi = {10.1021/acs.jctc.8b00656},
|
||
Journal = {J. Chem. Theory Comput.},
|
||
Pages = {5846},
|
||
Title = {Optimal Basis Set for Electron Dynamics in Strong Laser Fields: The case of Molecular Ion H$_2$^+},
|
||
Volume = {14},
|
||
Year = {2018},
|
||
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00656}}
|
||
|
||
@article{LeiTou-AC-14,
|
||
Author = {T. Leininger and J. Toulouse},
|
||
Journal = {L'Actualit\'e Chimique},
|
||
Pages = {13-21},
|
||
Title = {{Relever le d\'efi de la r\'esolution de l'\'equation de Schr\"odinger}},
|
||
Volume = {382-383},
|
||
Year = {2014}}
|
||
|
||
@incollection{MusCocAssOttUmrTou-AQC-18,
|
||
Author = {B. Mussard and E. Coccia and R. Assaraf and M. Otten and C. J. Umrigar and J. Toulouse},
|
||
Booktitle = {Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems},
|
||
Doi = {10.1016/bs.aiq.2017.05.005},
|
||
Editor = {P. E. Hoggan},
|
||
Pages = {255-270},
|
||
Publisher = {Academic Press},
|
||
Series = {Advances in Quantum Chemistry Vol. 76},
|
||
Title = {Time-dependent linear-response variational Monte Carlo},
|
||
Year = {2018},
|
||
Bdsk-Url-1 = {https://doi.org/10.1016/bs.aiq.2017.05.005}}
|
||
|
||
@misc{MusTou-JJJ-XX,
|
||
Author = {B. Mussard and J. Toulouse},
|
||
Note = {Fractional-charge and fractional-spin errors in range-separated density-functional theory, Mol. Phys., to appear (2016); preprint arXiv:1607.03621}}
|
||
|
||
@article{MusTou-MP-17,
|
||
Author = {Bastien Mussard and Julien Toulouse},
|
||
Journal = {Mol. Phys.},
|
||
Pages = {161-173},
|
||
Title = {Fractional-charge and fractional-spin errors in range-separated density-functional theory},
|
||
Volume = {115},
|
||
Year = {2017}}
|
||
|
||
@article{OleTouSch-JCP-19,
|
||
Author = {Valerio Olevano and Julien Toulouse and Peter Schuck},
|
||
Doi = {10.1063/1.5080330},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {084112},
|
||
Title = {A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW+BSE and self-consistent RPA},
|
||
Volume = {150},
|
||
Year = {2019},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.5080330}}
|
||
|
||
@article{PaqTou-JCP-18,
|
||
Author = {Julien Paquier and Julien Toulouse},
|
||
Doi = {10.1063/1.5049773},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {174110},
|
||
Title = {Four-component relativistic range-separated density-functional theory: Short-range exchange local-density approximation},
|
||
Volume = {149},
|
||
Year = {2018},
|
||
Bdsk-Url-1 = {https://doi.org/10.1063/1.5049773}}
|
||
|
||
@misc{PaqTou-JJJ-XX-note,
|
||
Note = {See Supplementary Information for details on the calculation of the sums over spins in Eqs.~(\ref{epsxC}) and (\ref{epsxB}), details on the calculation of the large-$\ct$ expansions in Eqs.~(\ref{epsCsrasymp}) and~(\ref{epsBsrasymp}), and for a Mathematica notebook containing the complete expressions of the large-$\ct$ expansions in Eqs.~(\ref{epsCsrasymp}) and~(\ref{epsBsrasymp}) and of the Pad\'e approximants in Eqs.~(\ref{PadeC}) and~(\ref{PadeB}).}}
|
||
|
||
@article{PauPilTouEll-JCP-10,
|
||
Author = {Fran\c{c}oise Pauzat and Julien Pilm\'e and Julien Toulouse and Yves Ellinger},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {054301},
|
||
Title = {About the collapse of the 3.3 µm CH stretching band with ionization in polycyclic aromatic hydrocarbons: Configuration interaction and quantum Monte Carlo studies of the CH fragment},
|
||
Volume = {133},
|
||
Year = {2010}}
|
||
|
||
@article{PetTouUmr-JCP-11,
|
||
Author = {F. R. Petruzielo and J. Toulouse and C. J. Umrigar},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {064104},
|
||
Title = {Basis set construction for molecular electronic structure theory: Natural orbital and Gauss--Slater basis for smooth pseudopotentials},
|
||
Volume = {134},
|
||
Year = {2011}}
|
||
|
||
@article{PetTouUmr-JCP-12,
|
||
Author = {F. R. Petruzielo and J. Toulouse and C. J. Umrigar},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {124116},
|
||
Title = {{Approaching chemical accuracy with quantum Monte Carlo}},
|
||
Volume = {136},
|
||
Year = {2012}}
|
||
|
||
@article{RebTou-JCP-16,
|
||
Author = {E. Rebolini and J. Toulouse},
|
||
Doi = {http://dx.doi.org/10.1063/1.4943003},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {094107},
|
||
Title = {Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel},
|
||
Volume = {144},
|
||
Year = {2016},
|
||
Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4943003}}
|
||
|
||
@misc{RebTouSav-JJJ-XX-note,
|
||
Note = {With the notations used here, the Hubbard model is obtained for $\Delta\varepsilon = 2 t$ and $J_{11}=J_{22}=J_{12}=J_{12}=K_{12}=U/2$ where $t$ is the hopping parameter and $U$ is the on-site Coulomb interaction.}}
|
||
|
||
@article{RebTouTeaHelSav-JCP-14,
|
||
Author = {E. Rebolini and J. Toulouse and A. M. Teale and T. Helgaker and A. Savin},
|
||
Doi = {http://dx.doi.org/10.1063/1.4890652},
|
||
Journal = {Journal of Chemical Physics},
|
||
Pages = {044123},
|
||
Title = {Excitation energies along a range-separated adiabatic connection},
|
||
Volume = {141},
|
||
Year = {2014},
|
||
Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4890652}}
|
||
|
||
@misc{RebTouTeaHelSav-JJJ-XX-sup,
|
||
Note = {See supplementary material at http://xxxxxxxx for the fits of the total and excitation energies.}}
|
||
|
||
@article{RebTouTeaHelSav-PRA-15,
|
||
Author = {E. Rebolini and J. Toulouse and A. M. Teale and T. Helgaker and A. Savin},
|
||
Doi = {http://dx.doi.org/10.1103/PhysRevA.91.032519},
|
||
Journal = {Phys. Rev. A},
|
||
Pages = {032519},
|
||
Title = {Calculating excitation energies by extrapolation along adiabatic connections},
|
||
Volume = {91},
|
||
Year = {2015},
|
||
Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevA.91.032519}}
|
||
|
||
@incollection{ReiTouAssUmrHog-INC-12,
|
||
Address = {Washington, DC},
|
||
Author = {P. Reinhardt and J. Toulouse and R. Assaraf and C. J. Umrigar and P. E. Hoggan},
|
||
Booktitle = {Advances in Quantum Monte Carlo},
|
||
Editor = {{S. Tanaka, S. M. Rothstein, and W. A. Lester, Jr.}},
|
||
Pages = {53-63},
|
||
Publisher = {American Chemical Society},
|
||
Series = {ACS Symposium Series Vol. 1094},
|
||
Title = {Quantum Monte Carlo Facing the Hartree-Fock Symmetry Dilemma: The Case of Hydrogen Rings},
|
||
Year = {2012}}
|
||
|
||
@article{ReiTouSav-TCA-18,
|
||
Author = {Peter Reinhardt and Julien Toulouse and Andreas Savin},
|
||
Doi = {10.1007/s00214-018-2370-5},
|
||
Journal = {Theor. Chem. Acc.},
|
||
Pages = {168},
|
||
Title = {Range-separated density-functional theory applied to the beryllium dimer and trimer},
|
||
Volume = {137},
|
||
Year = {2018},
|
||
Bdsk-Url-1 = {https://doi.org/10.1007/s00214-018-2370-5}}
|
||
|
||
@article{RohTouPer-PRA-10,
|
||
Author = {D. R. Rohr and J. Toulouse and K. Pernal},
|
||
Journal = {Phys. Rev. A},
|
||
Pages = {052502},
|
||
Title = {Combining density-functional theory and density-matrix-functional theory},
|
||
Volume = {82},
|
||
Year = {2010}}
|
||
|
||
@article{SanCivUsvTouShaMas-JCP-15,
|
||
Author = {G. Sansone and B. Civalleri and D. Usvyat and J. Toulouse and K. Sharkas and L. Maschio},
|
||
Doi = {http://dx.doi.org/10.1063/1.4922996},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {102811},
|
||
Title = {Range-separated double-hybrid density-functional theory applied to periodic systems},
|
||
Volume = {143},
|
||
Year = {2015},
|
||
Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4922996}}
|
||
|
||
@article{ShaSavJenTou-JCP-12,
|
||
Author = {K. Sharkas and A. Savin and H. J. Aa. Jensen and J. Toulouse},
|
||
Journal = {J. Chem. Phys.},
|
||
Pages = {044104},
|
||
Title = {A multiconfigurational hybrid density-functional theory},
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Year = {2012}}
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@article{SmiFraMusBukGraLupTou-JCP-16,
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Author = {S. \'Smiga and O. Franck and B. Mussard and A. Buksztel and I. Grabowski and E. Luppi and J. Toulouse},
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@misc{SouShaTou-JJJ-XX-sup,
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Note = {See supplementary material.}}
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@article{StoTeaTouHelFro-JCP-13,
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Author = {Alexandrina Stoyanova and Andrew M. Teale and Julien Toulouse and Trygve Helgaker and Emmanuel Fromager},
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Journal = {J. Chem. Phys.},
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Pages = {134113},
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Title = {Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory},
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Year = {2013}}
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@article{TayAngGalZhaGygHirSonRahLilPodBulHenScuTouPevTruSza-JCP-16,
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Author = {Taylor, D. E. and \'Angy\'an, J. G. and Galli, G. and Zhang, C. and Gygi, F. and Hirao, K. and Song, J. W. and Rahul, K. and von Lilienfeld, O. A. and Podeszwa, R. and Bulik, I. W. and Henderson, T. M. and Scuseria, G. E. and Toulouse, J. and Peverati, R. and Truhlar, D. G. and Szalewicz, K.},
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Pages = {124105},
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Title = {Blind test of density-functional-based methods on intermolecular interaction energies},
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Url = {http://scitation.aip.org/content/aip/journal/jcp/145/12/10.1063/1.4961095},
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Volume = {145},
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Year = {2016},
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Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/145/12/10.1063/1.4961095},
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Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4961095}}
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@incollection{TouAssUmr-INC-16,
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Author = {J. Toulouse and R. Assaraf and C. J. Umrigar},
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Booktitle = {Electron Correlation in Molecules - ab initio Beyond Gaussian Quantum Chemistry},
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Doi = {10.1016/bs.aiq.2015.07.003},
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Editor = {P. E. Hoggan and T. Ozdogan},
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Title = {Introduction to the Variational and Diffusion Monte Carlo Methods},
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Year = {2016},
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Bdsk-Url-1 = {https://doi.org/10.1016/bs.aiq.2015.07.003}}
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@incollection{TouCafReiHogUmr-INC-12,
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Address = {Dordrecht Heidelberg London New York},
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Author = {J. Toulouse and M. Caffarel and P. Reinhardt and P. E. Hoggan and C. J. Umrigar},
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Booktitle = {Advances in the Theory of Quantum Systems in Chemistry and Physics},
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Editor = {P. E. Hoggan and J. Maruani and P. Piecuch and G. Delgado-Barrio and E. J. Br\"andas},
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Pages = {345-353},
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Publisher = {Springer},
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Series = {Progress in Theoretical Chemistry and Physics Vol. 22},
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Title = {Quantum Monte Carlo calculations of electronic excitation energies: The case of the singlet $n\to\pi^*$ (CO) transition in acrolein},
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Year = {2012}}
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@article{TouColSav-JCP-05,
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Pages = {014110},
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Title = {Short-range exchange and correlation energy density functionals: Beyond the local-density approximation},
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Volume = {122},
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Year = {2005}}
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@misc{TouColSav-JJJ-XXa,
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Author = {J. Toulouse and F. Colonna and A. Savin},
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Title = {in preparation}}
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@article{TouColSav-MP-05,
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Author = {Julien Toulouse and Francois Colonna and Andreas Savin},
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Journal = {Mol. Phys.},
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Pages = {2725},
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Title = {Exchange-correlation potentials and local energies per particle along non-linear adiabatic connections},
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Volume = {103},
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Year = {2005}}
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Journal = {Phys. Rev. Lett.},
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Pages = {096404},
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Title = {Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation},
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Volume = {102},
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Year = {2009}}
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@article{TouGorSav-IJQC-06,
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Author = {J. Toulouse and P. Gori-Giorgi and A. Savin},
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Journal = {Int. J. Quantum Chem.},
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Pages = {2026},
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Title = {Scaling relations, virial theorem and energy densities for long-range and short-range density functionals},
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Volume = {106},
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Year = {2006}}
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@article{TouGorSav-TCA-05,
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Author = {J. Toulouse and P. Gori-Giorgi and A. Savin},
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Journal = {Theor. Chem. Acc.},
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Pages = {305},
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Volume = {114},
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Year = {2005}}
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@article{Tou-PRB-05,
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Author = {Julien Toulouse},
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Pages = {035117},
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Title = {Simple model of the static exchange-correlation kernel of a uniform electron gas with long-range electron-electron interaction},
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Volume = {72},
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Year = {2005}}
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@article{TouRebGouDobSeaAng-JCP-13,
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Author = {Julien Toulouse and Elisa Rebolini and Tim Gould and John F. Dobson and Prasenjit Seal and J\'anos G. \'Angy\'an},
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Journal = {J. Chem. Phys.},
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Pages = {194106},
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Title = {Assessment of range-separated time-dependent density-functional theory for calculating $C_6$ dispersion coefficients},
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Volume = {138},
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Year = {2013}}
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@article{TouSavFla-IJQC-04,
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Author = {J. Toulouse and A. Savin and H.-J. Flad},
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Journal = {Int. J. Quantum Chem.},
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Pages = {1047},
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Title = {Short-range exchange-correlation energy of a uniform electron gas with modified electron-electron interaction},
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Volume = {100},
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Year = {2004}}
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@misc{TouSav-JJJ-XX,
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Author = {J. Toulouse and A. Savin},
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Title = {in preparation}}
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@article{TouSav-JMS-06,
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Author = {Julien Toulouse and Andreas Savin},
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Journal = {J. Mol. Struct. (Theochem)},
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Pages = {147},
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Title = {Local density approximation for long-range or for short-range energy functionals?},
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Volume = {762},
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Year = {2006}}
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@article{TouShaBreAda-JCP-11,
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Title = {Rationale for a new class of double-hybrid approximations in density-functional theory},
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Volume = {135},
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Year = {2011}}
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@article{TouUmr-JCP-07,
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Author = {J. Toulouse and C. J. Umrigar},
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Pages = {084102},
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Title = {{Optimization of quantum Monte Carlo wave functions by energy minimization}},
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Year = {2007}}
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@article{TouZhuAngSav-PRA-10,
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Author = {Julien Toulouse and Wuming Zhu and J\'anos G. \'Angy\'an and Andreas Savin},
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Journal = {Phys. Rev. A},
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Pages = {032502},
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Title = {Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications},
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Year = {2010}}
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@article{TouZhuSavJanAng-JCP-11,
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Author = {J. Toulouse and W. Zhu and A. Savin and G. Jansen and J. G. \'Angy\'an},
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Title = {Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions},
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Volume = {135},
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Year = {2011}}
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@misc{TouZhuSavJanAng-JJJ-XX-note,
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Note = {In Ref.~\onlinecite{Hes-JCP-11}, AC-RPA, NRPA1, NRPA3, and NRPA4 refer to what we call here RPAx-I, RPAx-II, RPA-SO2, and RPA-SO1, respectively. In addition, NRPA2 corresponds to the variant of Fukuda {\it et al.}, i.e. $2E_{c,\RPAxII}-E_{c,\text{MP2}}$.}}
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Year = {2007}}
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@misc{ZapLupTou-JJJ-XX-note,
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Note = {Contrary to our Fig. \ref{Hespectra}a, the TDLDA spectrum of the He atom shown in Fig. 6 of Ref.~\onlinecite{WasMaiBur-PRL-03} has a larger maximum than the LDA spectrum. This discrepancy is due to the fact that the TDLDA spectrum shown in Ref.~\onlinecite{WasMaiBur-PRL-03} comes in fact from Ref.~\onlinecite{SteDecGor-JCP-01} where it was calculated by replacing the LDA 1s orbital energy by the opposite of the exact ionization energy. We have checked that this results not only in an energy shift of the spectrum but also to larger oscillator strengths. The true TDLDA spectrum of the He atom is thus the one shown in the present Fig. \ref{Hespectra}a.}}
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Note = {unpublished}}
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Although exact at infinite separation and accurate near the equilibrium
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bond length, the RPA dissociation curve displays unphysical repulsion
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Note = {For $\ell=0$, $R_2(r)$ only diverges as $1/r$ at $r=0$ which is normalizable, i.e. $\int_0^\infty \text{d}r r^2 |R_2(r)|^2 < \infty$. However, even in this case, the expectation value of the Hamiltonian operator is infinite. For $\ell \geq 1$, $R_2(r)$ is not even normalizable.}}
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@misc{lifetimes-note2,
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Note = {The general solution of the Schr\"odinger equation given in Eqs.~(\ref{solR})-(\ref{solR2}) is valid for $Z\not=0$. For $Z=0$, $R_1(r)$ in Eq.~(\ref{solR1}) becomes identically zero, and should be replaced by a function which has the same expression as $R_2(r)$ with the substitution $\sqrt{-2E} \to -\sqrt{-2E}$. The continuum scattering states are then obtained as a linear combination of these two functions. However, our analysis of complex-energy states remains unchanged. Thus, our procedure for determining the lifetimes is still valid for $Z=0$.}}
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@article{PetGosGro-PRL-96,
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Year = {1996}}
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@article{PetGro-IJQC-96,
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Author = {M. Petersilka and E. K. U. Gross},
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Journal = {Int. J. Quantum Chem. Symp.},
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Pages = {1393},
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Year = {1996}}
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@article{PetHolChaNigUmr-PRL-12,
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Pages = {230201},
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Title = {Semistochastic Projector Monte Carlo Method},
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@article{PetKenDun-JCP-93b,
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Author = {{K. A. Peterson, R. A. Kendall and T. H. Dunning Jr.}},
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Pages = {024110},
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Title = {Orbital optimized double-hybrid density functionals},
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Volume = {139},
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Year = {2013}}
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Author = {Roberto Peverati and Donald G. Truhlar},
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Year = {2011}}
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@article{PevTru-JPCL-12,
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Author = {Roberto Peverati and Donald G. Truhlar},
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Year = {2012}}
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@article{PevTru-PTRSA-14,
|
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Abstract = {Kohn{\textendash}Sham density functional theory is in principle an exact formulation of quantum mechanical electronic structure theory, but in practice we have to rely on approximate exchange{\textendash}correlation (xc) functionals. The objective of our work has been to design an xc functional with broad accuracy across as wide an expanse of chemistry and physics as possible, leading{\textemdash}as a long-range goal{\textemdash}to a functional with good accuracy for all problems, i.e. a universal functional. To guide our path towards that goal and to measure our progress, we have developed{\textemdash}building on earlier work of our group{\textemdash}a set of databases of reference data for a variety of energetic and structural properties in chemistry and physics. These databases include energies of molecular processes, such as atomization, complexation, proton addition and ionization; they also include molecular geometries and solid-state lattice constants, chemical reaction barrier heights, and cohesive energies and band gaps of solids. For this paper, we gather many of these databases into four comprehensive databases, two with 384 energetic data for chemistry and solid-state physics and another two with 68 structural data for chemistry and solid-state physics, and we test two wave function methods and 77 density functionals (12 Minnesota meta functionals and 65 others) in a consistent way across this same broad set of data. We especially highlight the Minnesota density functionals, but the results have broader implications in that one may see the successes and failures of many kinds of density functionals when they are all applied to the same data. Therefore, the results provide a status report on the quest for a universal functional.},
|
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Author = {Peverati, Roberto and Truhlar, Donald G.},
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Doi = {10.1098/rsta.2012.0476},
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Isbn = {1471-2962},
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Issn = {1364-503X},
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Journal = {Phil. Trans. R. Soc. A},
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Note = {preprint at http://arxiv.org/abs/1212.0944},
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Number = {2011},
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Pages = {20120476},
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Publisher = {The Royal Society},
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Title = {Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics},
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Volume = {372},
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Year = {2014},
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Bdsk-Url-1 = {https://doi.org/10.1098/rsta.2012.0476}}
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Keywords = {organic compounds; silicon compounds; coupled cluster calculations; configuration interactions},
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Title = {Assessment of the single-root multireference Brillouin--Wigner coupled- cluster method: Test calculations on CH[sub 2], SiH[sub 2], and twisted ethylene},
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Title = {D\'eveloppement et applications d'une m\'ethode g\'en\'eralisant la th\'eorie de la fonctionnelle de la densit\'e \`a plusieurs d\'eterminants de Slater},
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Type = {Th\`ese de doctorat},
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Note = {QMCMOL, a quantum Monte Carlo program written by R. Assaraf, F. Colonna, X. Krokidis, P. Reinhardt and coworkers.},
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Url = {http://www.lct.jussieu.fr/pagesequipe/qmcmol/qmcmol/},
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Bdsk-Url-1 = {http://www.lct.jussieu.fr/pagesequipe/qmcmol/qmcmol/}}
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@misc{Quantumexpressoweb-PROG-XX,
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Note = {\url{http://www.quantum-espresso.org}},
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Title = {QUANTUM ESPRESSO, an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale}}
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Publisher = {AIP},
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Title = {The Thermal Trans-Cis Isomerization of Dideuteroethylene},
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Title = {Real-Time Probing of Electron Dynamics Using Attosecond Time-Resolved Spectroscopy},
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@article{RasChi-JCP-96a,
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@article{RasChi-JCP-96b,
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Year = {1996}}
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@misc{RebSavTou-JJJ-XX,
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Author = {E. Rebolini and A. Savin and J. Toulouse},
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Note = {unpublished}}
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@article{RebSavTou-MP-13,
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Author = {E. Rebolini and A. Savin and J. Toulouse},
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Pages = {1219},
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Title = {Electronic excitations from a linear-response range-separated hybrid scheme},
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@article{RebTeaHelSavTou-MP-18,
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Pages = {1443-1451},
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Title = {Excitation energies from G\"orling--Levy perturbation theory along the range-separated adiabatic connection},
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Year = {2018},
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Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2017.1422811}}
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@phdthesis{Reb-THESIS-14,
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Author = {E. Rebolini},
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School = {Universit\'e Pierre et Marie Curie},
|
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Title = {Range-separated density-functional theory for molecular excitation energies},
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Type = {{Th\`ese de doctorat}},
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Url = {https://tel.archives-ouvertes.fr/tel-01027522},
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Year = {2014},
|
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Bdsk-Url-1 = {https://tel.archives-ouvertes.fr/tel-01027522}}
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@phdthesis{Reb-THESIS-14_eng,
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Author = {E. Rebolini},
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School = {Universit\'e Pierre et Marie Curie},
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Title = {Range-separated density-functional theory for molecular excitation energies},
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Type = {{PhD thesis}},
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Url = {https://tel.archives-ouvertes.fr/tel-01027522},
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Year = {2014},
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Bdsk-Url-1 = {https://tel.archives-ouvertes.fr/tel-01027522}}
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Author = {E. Rebolini and J. Toulouse and A. Savin},
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Booktitle = {Electronic Structure and Reactivity},
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Editor = {S. K. Ghosh and P. K. Chattaraj},
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Note = {preprint at http://arxiv.org/abs/1304.1314},
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Pages = {367-390},
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Publisher = {CRC Press},
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Title = {Electronic excitation energies of molecular systems from the Bethe-Salpeter equation: Example of the H$_2$ molecule},
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Year = {2013}}
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@article{RebTouTeaHelSav-MP-15,
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Bdsk-Url-1 = {http://dx.doi.org/10.1080/00268976.2015.1011248}}
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Author = {P. Reinhardt and J. Toulouse and J. G. \'Angy\'an and A. Savin},
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Note = {unpublished}}
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@article{RenRinBluWieTkaSanReuSch-NJP-12,
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Author = {Xinguo Ren and Patrick Rinke and Volker Blum and Jurgen Wieferink and Alexandre Tkatchenko and Andrea Sanfilippo and Karsten Reuter and Matthias Scheffler},
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Author = {Ren, Xinguo and Rinke, Patrick and Joas, Christian and Scheffler, Matthias},
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Keyword = {Chemistry and Materials Science},
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Opturl = {http://dx.doi.org/10.1007/s10853-012-6570-4},
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Owner = {gambort},
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Pages = {7447},
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Publisher = {Springer Netherlands},
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Title = {Random-phase approximation and its applications in computational chemistry and materials science},
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Year = {2012}}
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