16 citations · 43 across the 5 of their papers we have counts for
5 papers
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…
General Formulas of the Structure Constants in the Lie Algebra
Duncan Bossion, Pengfei Huo
We provide the analytic expressions of the totally symmetric and anti-symmetric structure constants in the Lie algebra. The derivation is based on a relation lin…
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.…
C-type shock modelling -- the effect of new H-H collisional rate coefficients
A. V. Nesterenok, D. Bossion, Y. Scribano +1
We consider collisional excitation of H molecules in C-type shocks propagating in dense molecular clouds. New data on collisional rate coefficients for (de-)excitation of H…
The low temperature D + H 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 plays an important role in astrochemistry at low temperatures and also serves as a prototype for simple ion-molecule reaction. Its ground $\til…