Abstract
The mixed quantum-classical Liouville equation is derived from a semiclassical perspective starting from the full quantum Schrödinger equation. An asymptotic numerical scheme for solving the equation is discussed which relies on propagating swarms of interacting “threads” which represent the density matrix or other observable. It is demonstrated that this “multithreads” method performs extremely well on simple one-dimensional model systems designed to test nonadiabatic molecular dynamic methods, yielding essentially exact results for a variety of models.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: 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.
