9 citations · 17 across the 4 of their papers we have counts for
4 papers
Comment about the use of Monte-Carlo methodology for the representation of atomic electronic densities
Jean Hoarau, Jean-Claude Rayez
Representations of atomic orbitals based on Monte-Carlo (MC) approaches are not always correct when using various sets of orthogonal coordinates other than Cartesian coordinates. T…
Semiclassical statistico-dynamical description of polyatomic photo-dissociations: State-resolved distributions
Maykel Leonardo Gonzalez-Martinez, Laurent Bonnet, Pascal Larregaray +1
An alternative methodology to investigate indirect polyatomic processes with quasi-classical trajectories is proposed, which effectively avoids any binning or weighting procedure w…
Eyring equation ans the second order kinetic law
L. Bonnet, J. -C. Rayez
Elementary gas-phase reactions of the bimolecular type A + B -> Products are characterized by the second order kinetic law -d[A]/dt=k[A][B], where [A] and [B] are the concentration…
From angle-action to Cartesian coordinates: A key transformation for molecular dynamics
M. L. González-Martínez, L. Bonnet, P. Larrégaray +2
The transformation from angle-action variables to Cartesian coordinates is a crucial step of the (semi) classical description of bimolecular collisions and photo-fragmentations. Th…