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Time-dependent treatment of intramolecular energy transfer for HeICl complex

Time-dependent treatment of intramolecular energy transfer for HeICl complex
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摘要 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. 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.
机构地区 SHANDONG NORMAL UNIV
出处 《Chinese Journal of Chemistry》 SCIE CAS CSCD 1997年第3期218-224,共7页 中国化学(英文版)
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.
关键词 vibrational predissociation TIME-DEPENDENT wave-packet propagation vibrational predissociation time-dependent wave-packet propagation
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