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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Showing 2021Show all

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math-ph2021

General Formulas of the Structure Constants in the $su (N)$ Lie Algebra

Duncan Bossion, Pengfei Huo

We provide the analytic expressions of the totally symmetric and anti-symmetric structure constants in the $su (N)$ Lie algebra. The derivation is based on a relation lin…

physics.chem-ph2021★ 15 cited

Non-Adiabatic Ring Polymer Molecular Dynamics with Spin Mapping Variables

Duncan Bossion, Sutirtha N. Chowdhury, Pengfei Huo

We present a new non-adiabatic ring polymer molecular dynamics (NRPMD) method based on the spin mapping formalism, which we refer to as the spin-mapping NRPMD (SM-NRPMD) approach.…

General Formulas of the Structure Constants in the su(N) Lie Algebra

Non-Adiabatic Ring Polymer Molecular Dynamics with Spin Mapping Variables

General Formulas of the Structure Constants in the $su (N)$ Lie Algebra