Cartesian coupled coherent states simulations: NenBr2 dissociation as a test case

摘要: In this article, we describe coupled coherent states (CCS) simulations of vibrational predissociation weakly bounded complexes. The CCS method is implemented in the Cartesian frame a manner that similar to classical molecular dynamics. calculated lifetimes vibrationally excited Ne-Br2(ν) complexes agree with experiment and previous calculations. Although is, principle, fully quantum approach, practice it typically becomes semiclassical technique at long times. This especially true following dissociation events. Consequently, very difficult converge calculations final Br2 distributions after autocorrelation functions. However, main advantage can be applied relative ease determine larger and, order demonstrate this, preliminary results for tetra- penta-atomic clusters are reported.