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Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics
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Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics

Gao, Xing ; Saller, Maximilian A. C ; Liu, Yudan ; Kelly, Aaron ; Richardson, Jeremy O ; Geva, Eitan

Journal of chemical theory and computation, 2020-05, Vol.16 (5), p.2883-2895 [Periódico revisado por pares]

United States: American Chemical Society

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Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis Sets
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Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis Sets

Saller, Maximilian A. C ; Habershon, Scott

Journal of chemical theory and computation, 2017-07, Vol.13 (7), p.3085-3096 [Periódico revisado por pares]

United States: American Chemical Society

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Basis Set Generation for Quantum Dynamics Simulations Using Simple Trajectory-Based Methods
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Basis Set Generation for Quantum Dynamics Simulations Using Simple Trajectory-Based Methods

Saller, Maximilian A. C ; Habershon, Scott

Journal of chemical theory and computation, 2015-01, Vol.11 (1), p.8-16 [Periódico revisado por pares]

United States: American Chemical Society

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