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Material Type: Artigo
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The density matrix renormalization group for ab initio quantum chemistryWouters, Sebastian ; Van Neck, DimitriThe European physical journal. D, Atomic, molecular, and optical physics, 2014-09, Vol.68 (9), Article 272 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Material Type: Artigo
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Theory and applications of atomic and ionic polarizabilitiesMitroy, J ; Safronova, M S ; Clark, Charles WJournal of physics. B, Atomic, molecular, and optical physics, 2010-10, Vol.43 (20), p.202001 [Periódico revisado por pares]Bristol: IOP PublishingTexto completo disponível |
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3 |
Material Type: Artigo
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Progress and Challenges in the Calculation of Electronic Excited StatesGonzález, Leticia ; Escudero, Daniel ; Serrano-Andrés, LuisChemphyschem, 2012-01, Vol.13 (1), p.28-51 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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Material Type: Artigo
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Benchmarking Density Functional Methods against the S66 and S66x8 Datasets for Non-Covalent InteractionsGoerigk, Lars ; Kruse, Holger ; Grimme, StefanChemphyschem, 2011-12, Vol.12 (17), p.3421-3433 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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Material Type: Artigo
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Roadmap of ultrafast x-ray atomic and molecular physicsYoung, Linda ; Ueda, Kiyoshi ; Gühr, Markus ; Bucksbaum, Philip H ; Simon, Marc ; Mukamel, Shaul ; Rohringer, Nina ; Prince, Kevin C ; Masciovecchio, Claudio ; Meyer, Michael ; Rudenko, Artem ; Rolles, Daniel ; Bostedt, Christoph ; Fuchs, Matthias ; Reis, David A ; Santra, Robin ; Kapteyn, Henry ; Murnane, Margaret ; Ibrahim, Heide ; Légaré, François ; Vrakking, Marc ; Isinger, Marcus ; Kroon, David ; Gisselbrecht, Mathieu ; L'Huillier, Anne ; Wörner, Hans Jakob ; Leone, Stephen RJournal of physics. B, Atomic, molecular, and optical physics, 2018-01, Vol.51 (3), p.32003 [Periódico revisado por pares]United States: IOP PublishingTexto completo disponível |
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Material Type: Artigo
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Proton Transfer 200 Years after von Grotthuss: Insights from Ab Initio SimulationsMarx, DominikChemphyschem, 2006-09, Vol.7 (9), p.1848-1870 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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7 |
Material Type: Artigo
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The Pseudopotential Approximation in Electronic Structure TheorySchwerdtfeger, PeterChemphyschem, 2011-12, Vol.12 (17), p.3143-3155 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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Material Type: Artigo
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Roadmap on photonic, electronic and atomic collision physics: I. Light-matter interactionUeda, Kiyoshi ; Sokell, Emma ; Schippers, Stefan ; Aumayr, Friedrich ; Sadeghpour, Hossein ; Burgdörfer, Joachim ; Lemell, Christoph ; Tong, Xiao-Min ; Pfeifer, Thomas ; Calegari, Francesca ; Palacios, Alicia ; Martin, Fernando ; Corkum, Paul ; Sansone, Giuseppe ; Gryzlova, Elena V ; Grum-Grzhimailo, Alexei N ; Piancastelli, Maria Novella ; Weber, Peter M ; Steinle, Tobias ; Amini, Kasra ; Biegert, Jens ; Berrah, Nora ; Kukk, Edwin ; Santra, Robin ; Müller, Alfred ; Dowek, Danielle ; Lucchese, Robert R ; McCurdy, C William ; Bolognesi, Paola ; Avaldi, Lorenzo ; Jahnke, Till ; Schöffler, Markus S ; Dörner, Reinhard ; Mairesse, Yann ; Nahon, Laurent ; Smirnova, Olga ; Schlathölter, Thomas ; Campbell, Eleanor E B ; Rost, Jan-Michael ; Meyer, Michael ; Tanaka, Kazuo AJournal of physics. B, Atomic, molecular, and optical physics, 2019-08, Vol.52 (17), p.171001 [Periódico revisado por pares]United States: IOP PublishingTexto completo disponível |
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9 |
Material Type: Artigo
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Influence of the Delocalization Error and Applicability of Optimal Functional Tuning in Density Functional Calculations of Nonlinear Optical Properties of Organic Donor-Acceptor ChromophoresSun, Haitao ; Autschbach, JochenChemphyschem, 2013-08, Vol.14 (11), p.2450-2461 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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Material Type: Artigo
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The Los Alamos suite of relativistic atomic physics codesFontes, C J ; Zhang, H L ; Jr, J Abdallah ; Clark, R E H ; Kilcrease, D P ; Colgan, J ; Cunningham, R T ; Hakel, P ; Magee, N H ; Sherrill, M EJournal of physics. B, Atomic, molecular, and optical physics, 2015-07, Vol.48 (14), p.144014-17 [Periódico revisado por pares]United States: IOP PublishingTexto completo disponível |