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Static Coherent States Method: One- and Two-Electron Laser-Induced Systems with Classical Nuclear Dynamics

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Eidi,  Mohammadreza
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

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Landsman,  Alexandra S.
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

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Eidi, M., Vafaee, M., & Landsman, A. S. (2018). Static Coherent States Method: One- and Two-Electron Laser-Induced Systems with Classical Nuclear Dynamics. Applied Sciences, 8(8): 1252. doi:10.3390/app8081252.


Cite as: https://hdl.handle.net/21.11116/0000-0002-5F06-E
Abstract
In this report, we introduce the static coherent states (SCS) method for investigating quantum electron dynamics in a one- or two-electron laser-induced system. The SCS method solves the time-dependent Schrodinger equation (TDSE) both in imaginary and real times on the basis of a static grid of coherent states (CSs). Moreover, we consider classical dynamics for the nuclei by solving their Newtonian equations of motion. By implementing classical nuclear dynamics, we compute the electronic-state potential energy curves of H-2(+) in the absence and presence of an ultra-short intense laser field. We used this method to investigate charge migration in H-2(+). In particular, we found that the charge migration time increased exponentially with inter-nuclear distance. We also observed substantial charge localization for sufficiently long molecular bonds.