Three-dimensional quantum mechanical calculations for vibrational predissociation of HeI2(B) van der Waals molecules are presented using the time-dependent wave packet technique within the golden rule approxima tion.T...Three-dimensional quantum mechanical calculations for vibrational predissociation of HeI2(B) van der Waals molecules are presented using the time-dependent wave packet technique within the golden rule approxima tion.The total and partial decay widths,lifetimes,rates and their dependence on initial vibrational states were obtained for HeI2 at low initial vibrational excited levels.Our calculations show that the calculated tota decay widths,lifetimes and rates agree well with those extrapolated from experimental data available The predicted total decay widths as a function of initial vibrational states exhibit highly nonlinear behavior.The very short propagation time (less.than 1 ps) required in the golden rule wave packet calculation is determined by the duration time of the final state inter-action between the fragments on the vibrationally deexcited adiabatic potential surface.The final state interaction between the fragments is shown to play an important role in determining the final rotational展开更多
A scheme used for controlling the population transfer and the dissociation rate of Na2 molecules is described by using the quantum wavepacket dynamical method. It is theoretically shown that the population transfer an...A scheme used for controlling the population transfer and the dissociation rate of Na2 molecules is described by using the quantum wavepacket dynamical method. It is theoretically shown that the population transfer and the dissociation rate of Na2 molecules can be controlled by pump and probe laser pulses with appropriate widths of pulses, sequence and intensities.展开更多
The time-dependent golden wave packet method has been used for calculating the decay widths of vibrational predissociation for HeICl complex in the B state with total angular momentum J=0. This is a good example of in...The time-dependent golden wave packet method has been used for calculating the decay widths of vibrational predissociation for HeICl complex in the B state with total angular momentum J=0. This is a good example of intramolecular energy transfer, We examine the dependence of the final rotational distribution (partial decay width) of ICI fragment an the stretching excitation. It is found that computed final rotational distributions are weakly dependent on the vibrational level being excited. Unlike the smoothly varying rotational distribution for lower initial vibrational levels, for higher initial vibrational levels the rotational distribution indicates the very pronounced oscillatory structure. The analysis of the rotational distribution as a function of propagation time reveals the predominant role of the final states interaction in determining the final rotational distribution.展开更多
文摘Three-dimensional quantum mechanical calculations for vibrational predissociation of HeI2(B) van der Waals molecules are presented using the time-dependent wave packet technique within the golden rule approxima tion.The total and partial decay widths,lifetimes,rates and their dependence on initial vibrational states were obtained for HeI2 at low initial vibrational excited levels.Our calculations show that the calculated tota decay widths,lifetimes and rates agree well with those extrapolated from experimental data available The predicted total decay widths as a function of initial vibrational states exhibit highly nonlinear behavior.The very short propagation time (less.than 1 ps) required in the golden rule wave packet calculation is determined by the duration time of the final state inter-action between the fragments on the vibrationally deexcited adiabatic potential surface.The final state interaction between the fragments is shown to play an important role in determining the final rotational
基金Supported by the National Natural Science Foundation of China under Grant No 10374012.
文摘A scheme used for controlling the population transfer and the dissociation rate of Na2 molecules is described by using the quantum wavepacket dynamical method. It is theoretically shown that the population transfer and the dissociation rate of Na2 molecules can be controlled by pump and probe laser pulses with appropriate widths of pulses, sequence and intensities.
基金Project supported by the Science Foundation for Overseas Chinese Scholars and Students,administered by the State Education Commission of China,and partially supported by the National Natural Science Foundation of China.
文摘The time-dependent golden wave packet method has been used for calculating the decay widths of vibrational predissociation for HeICl complex in the B state with total angular momentum J=0. This is a good example of intramolecular energy transfer, We examine the dependence of the final rotational distribution (partial decay width) of ICI fragment an the stretching excitation. It is found that computed final rotational distributions are weakly dependent on the vibrational level being excited. Unlike the smoothly varying rotational distribution for lower initial vibrational levels, for higher initial vibrational levels the rotational distribution indicates the very pronounced oscillatory structure. The analysis of the rotational distribution as a function of propagation time reveals the predominant role of the final states interaction in determining the final rotational distribution.
