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The CP2K Program Package Made Simple Iannuzzi, Marcella; Wilhelm, Jan; Stein, Frederick; Bussy, Augustin; Elgabarty, Hossam; Golze, Dorothea; Hehn, Anna-Sophia; Graml, Maximilian; Marek, Stepan; Goekmen, Beliz Sertcan; Schran, Christoph; Forbert, Harald; Khaliullin, Rustam Z.; Kozhevnikov, Anton; Taillefumier, Mathieu; Meli, Rocco; Rybkin, Vladimir V.; Brehm, Martin; Schade, Robert; Schutt, Ole; Pototschnig, Johann V.; Mirhosseini, Hossein; Knuepfer, Andreas; Marx, Dominik; Krack, Matthias; Hutter, Jurg; Kuehne, Thomas D. 分享 收藏
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Precision benchmarks for solids: G0W0 calculations with different basis sets 实体的精度基准: 具有不同基础集的G0W0计算 Azizi, Maryam; Delesma, Francisco A.; Giantomassi, Matteo; Zavickis, Davis; Kuisma, Mikael; Thyghesen, Kristian; Golze, Dorothea; Buccheri, Alexander; Zhang, Min-Ye; Rinke, Patrick; Draxl, Claudia; Gulans, Andris; Gonze, Xavier 分享 收藏
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Highly conducting single-molecule topological insulators based on mono- and di-radical cations Li, Liang; Low, Jonathan Z.; Wilhelm, Jan; Liao, Guanming; Gunasekaran, Suman; Prindle, Claudia R.; Starr, Rachel L.; Golze, Dorothea; Nuckolls, Colin; Steigerwald, Michael L.; Evers, Ferdinand; Campos, Luis M.; Yin, Xiaodong; Venkataraman, Latha 分享 收藏
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CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations CP2K: 电子结构和分子动力学软件包-Quickstep: 高效准确的电子结构计算 Kuehne, Thomas D.; Iannuzzi, Marcella; Del Ben, Mauro; Rybkin, Vladimir V.; Seewald, Patrick; Stein, Frederick; Laino, Teodoro; Khaliullin, Rustam Z.; Schutt, Ole; Schiffmann, Florian; Golze, Dorothea; Wilhelm, Jan; Chulkov, Sergey; Bani-Hashemian, Mohammad Hossein; Weber, Valery; Borstnik, Urban; Taillefumier, Mathieu; Jakobovits, Alice Shoshana; Lazzaro, Alfio; Pabst, Hans; Mueller, Tiziano; Schade, Robert; Guidon, Manuel; Andermatt, Samuel; Holmberg, Nico; Schenter, Gregory K.; Hehn, Anna; Bussy, Augustin; Belleflamme, Fabian; Tabacchi, Gloria; Gloss, Andreas; Lass, Michael; Bethune, Iain; Mundy, Christopher J.; Plessl, Christian; Watkins, Matt; VandeVondele, Joost; Krack, Matthias; Hutter, Jurg 分享 收藏