Abstract
We apply the MQCB (mixed quantum/classical mechanics based on Bohmian trajectories) [E. Gindensperger, C. Meier, and J. A. Beswick, J. Chem. Phys. 113, 9369 (2000)] to the case where the quantum degree of freedom contains both bound and continuum states. The quantum degree of freedom is treated by a wave packet that is propagated on a spatial grid with a Hamiltonian that depends parametrically on the classical degrees of freedom, while the classical degrees of freedom themselves are coupled to the wave function via quantum trajectories. The method is applied to a simple model of a light particle colliding with a heavy (classical) particle absorbed on a surface, which has been used by other authors to develop methods to combine quantum degrees of freedom including continuum states with classical mechanics. The results are compared to the Ehrenfest mean-field method as well as to full quantum results.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.