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收藏Comparison of Linear Response Theory, Projected Initial MaximumOverlap Method, and Molecular Dynamics-Based Vibronic Spectra:The Case of Methylene Blue
Abou Taka, Ali; Lu, Shao-Yu; Gowland, Duncan; Zuehlsdorff, Tim J.; Corzo, Hector H.; Pribram-Jones, Aurora; Shi, Liang; Hratchian, Hrant P.; Isborn, Christine M.
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收藏New density-functional approximations and beyond: general discussion
Brandenburg, Jan Gerit; Burke, Kieron; Cancio, Antonio; Erhard, Jannis; Fromager, Emmanuel; Ghosal, Abhisek; Gidopoulos, Nikitas; Gori-Giorgi, Paola; Helgaker, Trygve; Hourahine, Ben; Jacob, Christoph R.; Kooi, Derk; Maitra, Neepa; Mulay, Manasi R.; Pernal, Katarzyna; Pribram-Jones, Aurora; Reining, Lucia; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Skylaris, Chris-Kriton; Teale, Andrew M.; Tozer, David; Truhlar, Donald G.; Yang, Weitao
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收藏Challenges for large scale simulation: general discussion
Brandenburg, Jan Gerit; Burke, Kieron; Civalleri, Bartolomeo; Cole, Daniel J.; Csanyi, Gabor; David, Gregoire; Gidopoulos, Nikitas I.; Gowland, Duncan; Helgaker, Trygve; Herbst, Michael F.; Hourahine, Ben; Irons, Tom J. P.; Jacob, Christoph R.; Loos, Pierre-Francois; Mehta, Nisha; Mulay, Manasi R.; Neugebauer, Johannes; Pernal, Katarzyna; Pribram-Jones, Aurora; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Sirbu, Dumitru; Skylaris, Chris-Kriton; Truhlar, Donald G.; Wetherell, Jack; Yang, Weitao
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