Electronic coherence within the semiclassical field-induced surface hopping method: strong field quantum control in K2

Physical Chemistry Chemical Physics : PCCP
Jens Petersen, Roland Mitrić

Abstract

We demonstrate that the semiclassical field-induced surface hopping (FISH) method (Mitrićet al., Phys. Rev. A: At., Mol., Opt. Phys., 2009, 79, 053416.) accurately describes the selective coherent control of electronic state populations. With the example of the strong field control in the potassium dimer using phase-coherent double pulse sequences, we present a detailed comparison between FISH simulations and exact quantum dynamics. We show that for short pulses the variation of the time delay between the subpulses allows for a selective population of the desired final state with high efficiency. Furthermore, also for pulses of longer time duration, when substantial nuclear motion takes place during the action of the pulse, optimized pulse shapes can be obtained which lead to selective population transfer. For both types of pulses, the FISH method almost perfectly reproduces the exact quantum mechanical electronic population dynamics, fully taking account of the electronic coherence, and describes the leading features of the nuclear dynamics accurately. Due to the significantly higher computational efficiency of FISH as a trajectory-based method compared to full quantum dynamics simulations, this offers the possibility to theor...Continue Reading

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Citations

Feb 12, 2015·The Journal of Chemical Physics·Juan José BajoMaurizio Persico
Jun 24, 2016·The Journal of Chemical Physics·Alexander Humeniuk, Roland Mitrić
Mar 26, 2013·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Matthias WollenhauptThomas Baumert
Apr 17, 2013·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Merle I S RöhrRoland Mitrić
Aug 30, 2018·Physical Chemistry Chemical Physics : PCCP·J Patrick ZobelLeticia González
Jan 10, 2020·The Journal of Chemical Physics·Marta L Murillo-SánchezLuis Bañares
Apr 30, 2013·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Basile F E CurchodIvano Tavernelli
Mar 22, 2013·Physical Review Letters·Tim BayerMatthias Wollenhaupt
Jul 10, 2021·The Journal of Chemical Physics·Jens PetersenRoland Mitrić
May 17, 2018·Chemical Reviews·Rachel Crespo-Otero, Mario Barbatti

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