Full-dimensional quantum study of the vibrational predissociation of the I2⋯Ne2 cluster
Full-dimensional quantum study of the vibrational predissociation of the I2⋯Ne2 cluster
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I2⋯Ne2团簇振动预解离的全维量子研究
DOI：
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发表时间：
2001
期刊：
影响因子：
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通讯作者：
U. Manthe
中科院分区：
文献类型：
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作者：
C. Meier;U. Manthe
用全维含时波包方法研究了I2Ne_2(B，ν=21)团簇的振动预解离动力学。6维传播采用多组态依赖时间的Hartree(MCTDH)方法。在解离过程中监测了I2振动态布居数的时间依赖关系。最终的振动布居与Levy等人的实验结果进行了比较。
The dynamics of the vibrational predissociation of the I2Ne2(B,ν=21) cluster is studied using a full-dimensional time-dependent wave packet approach. The 6-D propagation is performed with the multiconfiguration time-dependent Hartree (MCTDH) method. The time dependence of the I2 vibrational state populations is monitored during the dissociation process. The final vibrational populations are compared to experimental findings of Levy et al.