Abstract
The semiclassical quantum trajectory method is applied to a large-gap (∼1 eV) nonadiabatic system, NaFH van der Waals complex treated in two dimensions. Single surface quantum effects on the FH fragment including the quasibound state decay are described using the approximate quantum potential method. Trajectory dynamics unfolds on a superposition of the electronic potential energy surfaces weighted by the surface populations. Transfer of wavefunctions between the surfaces is described by means of the population amplitude prefactors. Approximate quantum trajectory dynamics gives qualitative agreement with exact results which improves in the semiclassical regime of reduced coupling strength.
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.
