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pro vyhledávání: '"Johnson, Britta Ann"'
Mean-field Ring Polymer Molecular Dynamics (MF-RPMD) offers a computationally efficient method for the simulation of reaction rates in multi-level systems. Previous work has established that, to model a nonadiabatic state-to-state reaction accurately
Externí odkaz:
http://arxiv.org/abs/2405.04613
Autor:
Johnson, Britta Ann, Ananth, Nandini
Mean-Field Ring Polymer Molecular Dynamics (MF-RPMD) is a powerful, efficient, and accurate method for approximate quantum dynamic simulations of multi-level system dynamics. Initial efforts to compute nonadiabatic reaction rates using MF-RPMD were n
Externí odkaz:
http://arxiv.org/abs/2103.00059