D. Bossion

activity

20182022

^{+}

+ H

_{2}

\to

HD + H

^{+}

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

collaborators

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3 papers · 1 filter

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…

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.…

physics.chem-ph2018★ 16 cited

The low temperature D $^{+}$ + H $_{2}$ $\to$ HD + H $^{+}$ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study

Somnath Bhowmick, Duncan Bossion, Yohann Scribano +1

The reaction between D $^{+}$ and H $_{2}$ plays an important role in astrochemistry at low temperatures and also serves as a prototype for simple ion-molecule reaction. Its ground $\til…

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

Non-Adiabatic Ring Polymer Molecular Dynamics with Spin Mapping Variables

The low temperature D+ + H2​ → HD + H+ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study

The low temperature D $^{+}$ + H $_{2}$ $\to$ HD + H $^{+}$ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study