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Using the three-state model and time-dependent wavepacket method, the influence of the parameters of the intense femtosecond laser field on the wavepacket dynamic process of the double-minimum potential state 51Σ+and the population of the ground and diabatic electronic states of NaLi are investigated. The calculations show that different femtosecond laser parameters result in different influences on the evolution of the wavepacket and the population of NaLi. With increasing laser intensity and wavelength the diabatic coupling strength betweenAandBstates first strengthens and then weakens. The population interchanges betweenAandBstates when the laser pulse disappears. The above results provide the suggestions and useful information for one to achieve quantum manipulation of the molecule in an experiment. [ABSTRACT FROM AUTHOR]

We show here for a simple model system that the wavepacket dynamics in the interaction region can be described by a superposition of the non-Hermitian exponential divergent eigenfunctions of the physical Hamiltonian. We demonstrate how it is possible to obtain the complex eigenvalues and also the corresponding resonance eigenfunctions from the propagation of the wavepacket within the framework of the standard formalism of quantum mechanics. The general results demonstrated here for a simple model can lead to two different types of computational applications: (i) for systems where one can obtain the resonance energies and lifetimes as well as their corresponding eigenfunctions it is possible to study the evolution of the physical properties solely based on the initially populated resonance states without the need to propagate the wavepacket; (ii) for molecular systems where it is quite difficult to solve the non-Hermitian time-independent Schrödinger equation and obtain molecular resonance energies and functions. For this type of problem, the methods presented here enable one to evaluate the topology of complex potential energy surfaces from the wavepacket propagation and facilitate the study of the nuclear dynamics of ionizing molecular systems. [ABSTRACT FROM AUTHOR]