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Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems.
Tancogne-Dejean N, Oliveira MJT, Andrade X, Appel H, Borca CH, Le Breton G, Buchholz F, Castro A, Corni S, Correa AA, De Giovannini U, Delgado A, Eich FG, Flick J, Gil G, Gomez A, Helbig N, Hübener H, Jestädt R, Jornet-Somoza J, Larsen AH, Lebedeva IV, Lüders M, Marques MAL, Ohlmann ST, Pipolo S, Rampp M, Rozzi CA, Strubbe DA, Sato SA, Schäfer C, Theophilou I, Welden A, Rubio A. Tancogne-Dejean N, et al. Among authors: theophilou i. J Chem Phys. 2020 Mar 31;152(12):124119. doi: 10.1063/1.5142502. J Chem Phys. 2020. PMID: 32241132
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.
Andrade X, Strubbe D, De Giovannini U, Larsen AH, Oliveira MJ, Alberdi-Rodriguez J, Varas A, Theophilou I, Helbig N, Verstraete MJ, Stella L, Nogueira F, Aspuru-Guzik A, Castro A, Marques MA, Rubio A. Andrade X, et al. Among authors: theophilou i. Phys Chem Chem Phys. 2015 Dec 21;17(47):31371-96. doi: 10.1039/c5cp00351b. Phys Chem Chem Phys. 2015. PMID: 25721500
Kinetic-Energy Density-Functional Theory on a Lattice.
Theophilou I, Buchholz F, Eich FG, Ruggenthaler M, Rubio A. Theophilou I, et al. J Chem Theory Comput. 2018 Aug 14;14(8):4072-4087. doi: 10.1021/acs.jctc.8b00292. Epub 2018 Jul 19. J Chem Theory Comput. 2018. PMID: 29969552 Free PMC article.
15 results