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physics.chem-ph2021
Polyatomic radiative association by quasiclassical trajectory calculations: Cross section for the formation of HCN molecules in H + CN collisions
Péter Szabó, Magnus Gustafsson
We have developed the polyatomic extension of a recently established (M. Gustafsson, J. Chem. Phys, 138, 074308 (2013)) classical theory of radiative association in the absence of…
physics.chem-ph2017
A surface-hopping method for semiclassical calculations of cross sections for radiative association with electronic transitions
Péter Szabó, Magnus Gustafsson
A semicalssical method based on surface-hopping techniques is developed to model the dynamics of radiative association with electronic transitions in arbitrary polyatomic systems.…