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Tunneling induced electron transfer between separated protons
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2018-03-13 , DOI: 10.1016/j.cplett.2018.03.016
Patricia Vindel-Zandbergen , Christoph Meier , Ignacio R. Sola

We study electron transfer between two separated protons using local control theory. In this symmetric system one can favour a slow transfer by biasing the algorithm, achieving high efficiencies for fixed nuclei. The solution can be parametrized using a sequence of a pump followed by a dump pulse that lead to tunneling-induced electron transfer. Finally, we study the effect of the nuclear kinetic energy on the efficiency. Even in the absence of relative motion between the protons, the spreading of the nuclear wave function is enough to reduce the yield of electronic transfer to less than one half.



中文翻译:

隧穿引起的分离质子之间的电子转移

我们使用局部控制理论研究两个分离的质子之间的电子转移。在这种对称系统中,可以通过偏斜算法来支​​持慢速传输,从而实现固定核的高效率。可以使用一系列泵进行参数化处理,然后再加上导致隧道效应引起的电子转移的卸载脉冲。最后,我们研究了核动能对效率的影响。即使在质子之间不存在相对运动的情况下,核波函数的扩展也足以将电子传递的产率降低到不到一半。

更新日期:2018-03-13
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