Wave-packet propagation study of the charge-transfer dynamics of Rydberg atoms with metal surfaces
Wave-packet propagation study of the charge-transfer dynamics of Rydberg atoms with metal surfaces
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金属表面里德伯原子电荷转移动力学的波包传播研究
DOI：
10.1103/physreva.79.012901
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发表时间：
2009
影响因子：
2.9
通讯作者：
T. Softley
中科院分区：
文献类型：
--
作者：
E. So;M. T. Bell;T. Softley
本文用波包传播方法研究了外场作用下氙和氢里德伯原子与金属表面相互作用的电离动力学。计算使用库仑波离散变量表示进行，这允许将先前的计算有效地扩展到更高的主量子数。波包计算包括在避免能级交叉的非绝热效应。电离概率作为从表面的距离的函数进行比较与复杂的缩放计算，假设纯绝热遍历避免交叉。的“正常”的实验情况下，所施加的电场的方向，以排斥正离子远离表面，与动态的反向场的情况下，电子被排斥的表面之间的动态计算的比较。总的来说，很明显，对于任何给定的起始能级，反转场方向对电离动力学有明显的影响，并且非绝热效应在反转场的情况下最明显。对于某些场范围，电子束被发现是“背散射”远离表面的反向场配置。初步的平均场计算也被提出来评估原子加速对电离动力学的影响。
A wave-packet propagation study is presented of the ionization dynamics of xenon and hydrogen Rydberg atoms interacting with a metal surface in the presence of an external field. The calculations are performed using a Coulomb-wave discrete variable representation, which allows an efficient extension of previous calculations to a higher principal quantum number. The wave-packet calculations include nonadiabatic effects at avoided energy level crossings. Ionization probabilities as a function of distance from the surface are compared with complex-scaling calculations, which assume purely adiabatic traversal of the avoided crossings. A comparison is made between the dynamics calculated for the “normal” experimental situation, where the applied field is oriented so as to repel positive ions away from the surface, versus the dynamics for the reversed field situation, in which electrons are repelled from the surface. Overall it is clear that reversing the field direction has a pronounced effect on the ionization dynamics for any given starting level and that the nonadiabatic effects are most pronounced in the reversed field case. For certain field ranges, electron flux is found to be “backscattered” away from the surface in the reversed field configuration. Preliminary mean-field calculations are also presented to evaluate the effect of the acceleration of the atom on the ionization dynamics.