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Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular DynamicsGao, Xing ; Saller, Maximilian A. C ; Liu, Yudan ; Kelly, Aaron ; Richardson, Jeremy O ; Geva, EitanJournal of chemical theory and computation, 2020-05, Vol.16 (5), p.2883-2895 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis SetsSaller, Maximilian A. C ; Habershon, ScottJournal of chemical theory and computation, 2017-07, Vol.13 (7), p.3085-3096 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Basis Set Generation for Quantum Dynamics Simulations Using Simple Trajectory-Based MethodsSaller, Maximilian A. C ; Habershon, ScottJournal of chemical theory and computation, 2015-01, Vol.11 (1), p.8-16 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |