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Fragmentation of Na_3~(+) clusters by He impact: effect of initial cluster temperature on non-adiabatic phenomena

机译:Na_3〜(+)团簇的He碰撞破碎:初始团簇温度对非绝热现象的影响

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摘要

A theoretical study has been carried out of the fragmentation of Na_3~(+) ions following a collision with He. The collision leaves Na_3~(3) in any of three electronic states, and each of these can fragment into three product channels (Na_2~(+) + Na, Na_2 + Na~(+) and Na + Na + Na~(+)). The Na_3~(+) system has a conical intersection and an avoided crossing; these permit transitions between the different states. Cross-sections for each of the nine fragmentation pathways are presented for three different values of the initial vibrational excitation of Na_3~(+). The cross-sections are very sensitive to this vibrational energy.
机译:对与He碰撞后Na_3〜(+)离子的碎裂进行了理论研究。碰撞使Na_3〜(3)处于三个电子状态中的任何一个,并且每个电子状态都可以分成三个产物通道(Na_2〜(+)+ Na,Na_2 + Na〜(+)和Na + Na + Na〜(+ ))。 Na_3〜(+)系统具有圆锥形的交点和避免的交点。这些允许不同状态之间的转换。针对Na_3〜(+)的初始振动激发的三个不同值,给出了九个破碎路径的每一个的横截面。横截面对此振动能量非常敏感。

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