D. Bossion

activity

20182022

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reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study

16 citations · 43 across the 5 of their papers we have counts for

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physics.chem-ph2022★ 4 cited

Non-adiabatic Ring Polymer Molecular Dynamics in the Phase Space of the SU(N) Lie Group

Duncan Bossion, Sutirtha N. Chowdhury, Pengfei Huo

We derive the non-adiabatic ring polymer molecular dynamics (RPMD) approach in the phase space of the SU(N) Lie Group. This method, which we refer to as the spin mapping non-adiaba…