2023/09/22 by Wang, Yu, Mosallanejad, Vahid, Liu, Wei +1 · 1 citation
#FOS: Physical sciences #Quantum Physics (quant-ph)
paper · doi:10.48550/arxiv.2309.12905
With light-matter interaction extending into strong regime, as well as rapid development of laser technology, systems subjecting to a time-periodic perturbation are attracted broad attention. Floquet theorem and Floquet time-independent Hamiltonian are powerful theoretical framework to investigate the systems subjecting to time-periodic drivings. In this study, we extend the previous generalized SH algorithm near metal surface (J. Chem. Theory Comput. 2017, 13, 6, 2430-2439) to the Floquet space, and hence, we develop a generalized Floquet representation based surface hopping (FR-SH) algorithm. Here, we consider open quantum system with fast drivings. We expect that the present algorithm will be useful for understanding the chemical processes of molecules under time-periodic drivings near the metal surface.