المؤلفون: Rangel, T, Del Ben, M, Varsano, D, Antonius, G, Bruneval, F, da Jornada, FH, van Setten, MJ, Orhan, OK, O'Regan, DD, Canning, A, Ferretti, A, Marini, A, Rignanese, GM, Deslippe, J, Louie, SG, Neaton, JB

مصطلحات موضوعية: GW calculations, Reproducibility, Solids, Convergence, Plane-wave pseudopotential, cond-mat.mtrl-sci, Nuclear & Particles Physics, Mathematical Sciences, Physical Sciences, Information and Computing Sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/0n86d8fx

المؤلفون: Lejaeghere, K, Bihlmayer, G, Björkman, T, Blaha, P, Blügel, S, Blum, V, Caliste, D, Castelli, IE, Clark, SJ, Dal Corso, A, De Gironcoli, S, Deutsch, T, Dewhurst, JK, Di Marco, I, Draxl, C, Dułak, M, Eriksson, O, Flores-Livas, JA, Garrity, KF, Genovese, L, Giannozzi, P, Giantomassi, M, Goedecker, S, Gonze, X, Grånäs, O, Gross, EKU, Gulans, A, Gygi, F, Hamann, DR, Hasnip, PJ, Holzwarth, NAW, Iuşan, D, Jochym, DB, Jollet, F, Jones, D, Kresse, G, Koepernik, K, Küçükbenli, E, Kvashnin, YO, Locht, ILM, Lubeck, S, Marsman, M, Marzari, N, Nitzsche, U, Nordström, L, Ozaki, T, Paulatto, L, Pickard, CJ, Poelmans, W, Probert, MIJ, Refson, K, Richter, M, Rignanese, G-M, Saha, S, Scheffler, M, Schlipf, M, Schwarz, K, Sharma, S, Tavazza, F, Thunström, P, Tkatchenko, A, Torrent, M, Vanderbilt, D, Van Setten, MJ, Van Speybroeck, V, Wills, JM, Yates, JR, Zhang, G-X, Cottenier, S

Relation: https://ora.ox.ac.uk/objects/uuid:91992619-cc18-40c3-a35a-7c69b0b6ce36; https://doi.org/10.1126/science.aad3000

الاتاحة: https://doi.org/10.1126/science.aad3000
https://ora.ox.ac.uk/objects/uuid:91992619-cc18-40c3-a35a-7c69b0b6ce36

المؤلفون: Berardo, E, Kaplan, F, Bhaskaran-Nair, K, Shelton, WA, van Setten, MJ, Kowalski, K, Zwijnenburg, MA

المصدر: Journal of Chemical Theory and Computation , 13 (8) pp. 3814-3828. (2017)

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/1566764/1/Zwijnenburg_acs.jctc.7b00538.pdf; https://discovery.ucl.ac.uk/id/eprint/1566764/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/1566764/1/Zwijnenburg_acs.jctc.7b00538.pdf
https://discovery.ucl.ac.uk/id/eprint/1566764/

المؤلفون: Berardo, E, Kaplan, F, Bhaskaran-Nair, K, Shelton, WA, Van Setten, MJ, Kowalski, K, Zwijnenburg, MA

المصدر: 3828 ; 3814

مصطلحات موضوعية: Science & Technology, Physical Sciences, Chemistry, Physical, Physics, Atomic, Molecular & Chemical, DENSITY-FUNCTIONAL THEORY, GAUSSIAN-BASIS SETS, CDSE QUANTUM DOTS, EXCITATION-ENERGIES, GREENS-FUNCTION, RUTILE TITANIA, BINDING-ENERGY, GROUND-STATE, ANATASE TIO2, TD-DFT, 0307 Theoretical And Computational Chemistry, Chemical Physics

Relation: Journal of Chemical Theory and Computation; http://hdl.handle.net/10044/1/51405; https://dx.doi.org/10.1021/acs.jctc.7b00538

الاتاحة: http://hdl.handle.net/10044/1/51405
https://doi.org/10.1021/acs.jctc.7b00538

المؤلفون: Boelsma C, Bannenberg LJ, van Setten MJ, Steinke N-J, van Well AA, Dam B

Relation: urn:ISSN:2041-1723; Nat Commun; http://purl.org/net/epubs/series/11229085; ISIS (1984- ); ISIS - OFFSPEC; Science and Technology Facilities Council (2007- ); http://purl.org/net/epubs/work/33888763

الاتاحة: http://purl.org/net/epubs/work/33888763

المؤلفون: Lejaeghere K, Bihlmayer G, Bjorkman T, Blaha P, Blugel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, Du ak M, Eriksson O, Flores-Livas JA, Garrity KF, Genovese L, Giannozzi P, Giantomassi M, Goedecker S, Gonze X, Granas O, Gross EKU, Gulans A, Gygi F, Hamann DR, Hasnip PJ, Holzwarth NAW, Iu an D, Jochym DB, Jollet F, Jones D, Kresse G, Koepernik K, Kucukbenli E, Kvashnin YO, Locht ILM, Lubeck S, Marsman M, Marzari N, Nitzsche U, Nordstrom L, Ozaki T, Paulatto L, Pickard CJ, Poelmans W, Probert MIJ, Refson K, Richter M, Rignanese G, Saha S, Scheffler M, Schlipf M, Schwarz K, Sharma S, Tavazza F, Thunstrom P, Tkatchenko A, Torrent M, Vanderbilt D, van Setten MJ, Van Speybroeck V, Wills JM, Yates JR, Zhang G, Cottenier S

Relation: urn:ISSN:0036-8075; Science; http://purl.org/net/epubs/series/1252; ISIS (1984- ); Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/24802597

الاتاحة: http://purl.org/net/epubs/work/24802597

المؤلفون: Bardají, EG, Zhao Karger, Z, Boucharat, N, NALE, ANGELOCLAUDIO, van Setten, MJ, Lohstroh, W, Röhm, E, CATTI, MICHELE, Fichtner, M.

المساهمون: Bardají, E, Zhao Karger, Z, Boucharat, N, Nale, A, van Setten, M, Lohstroh, W, Röhm, E, Catti, M, Fichtner, M

مصطلحات موضوعية: hydrogen storage, lithium-magnesium borohydrides

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000288885900110; volume:115; issue:13; firstpage:6095; lastpage:6101; journal:JOURNAL OF PHYSICAL CHEMISTRY. C; http://hdl.handle.net/10281/24778; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-79953728782

الاتاحة: http://hdl.handle.net/10281/24778
https://doi.org/10.1021/jp110518s