A semiclassical (SC) methodology was presented to study the Boltzmann operator entering semiclassical approximations for finite correlation functions. The phase-space representation produced exponentially decaying factors for the coordinates and momenta of the real time trajectories employed in the dynamical part of the calculation. It was found that the given methodology was accurate and stable over the temperature range relevant to chemical applications.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry