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Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF

Chinese Physics B 2013年第7期22卷 140-147页

作者：孟庆田 A. J. C. Varandas Department of Physics Institute of Physics and ElectronicsShandong Normal University Departamento de Quimica Universidade de Coimbra

The photo-dissociation dynamics of LiF is investigated with newly constructed accurate ab initio potential energy curves （PECs） using the time-dependent quantum wave packet method. The oscillations and decay of the wave packet on the adiabats as a function of time are given, which can be compared with the femtosecond transition-state （FTS） spectroscopy. The photo-absorption spectra and the kinetic-energy distribution of the dissociation fragments, which can exhibit the vibration-level structure and the dispersion of the wave packet, respectively, are also obtained. The investigation shows a blue shift of the band center for the photo-absorption spectrum and multiple peaks in the kinetic-energy spectrum with increasing laser intensity, which can be attributed to external field effects. By analyzing the oscillations of the wave packet evolving on the upper adiabat, an approximate inversion scheme is devised to roughly deduce its shape.

关键词： photo-dissociation dynamics time-dependent wave packet method photo-absorption spectra external field effect

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Time-dependent approach to the double-channel dissociation of the NaCs molecule induced by pulsed lasers

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Chinese Physics B 2014年第10期23卷 96-102页

作者：张彩霞牛余全孟庆田 College of Physics and Electronics Shandong Normal University

The dynamics of the double-channel dissociation of the NaCs molecule is investigated by using the time-dependent wave packet （TDWP） method with the ＂split operator-Fourier transform＂ scheme. At a given wavelength and intensity of laser pulse, the population of each state changing with time is obtained. The photo-absorption spectra and kinetic- energy distribution of the dissociation fragments, which exhibit vibration-level structure and dispersion of the wave packet, respectively, are also obtained. The results show that by increasing the laser intensity, one can find not only the band center shift of the photo-absorption spectrum, but also the change of the fragment energy. The appearance of the diffusive band in the photo-absorption spectrum and the multiple peaks in the kinetic-energy spectrum can be attributed to the effects of the predissoeiation limit and the external field.

关键词： time-dependent wave packet method photo-dissociation dynamics photo-absorption spectrum,kinetic-energy spectrum NaCs

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