Theoretical Description of Charge Transfer Processes Near Metal Surfaces

近金属区电荷转移过程的理论描述 表面-该项目的目标是增加我们的 理解原子之间的电荷转移现象或简单 分子和金属表面。 在第一部分中， 电子隧穿将采用定标技术进行计算 激发原子（或分子）态与 模型金属表面。 特别是杂质的影响 共吸附和侧向吸附（模型晶格结构） 表面势对隧穿率的影响为 研究了 然后，这些转换率将与 含时散射模型，用于描述电荷 原子（或原子核）之间发生碰撞的转移过程 分子）和金属表面。 同样，影响特定于真实的 金属表面将包括在模型中。 %%% 原子和分子激发态的能量和寿命 或靠近金属表面是许多动力学中的控制因素， 在表面附近发生的现象。 例如，原子与 该表面可以通过光的作用解吸， 如果电子激发的反键态 有足够长的寿命。 然而，这一生取决于 强烈地依赖于原子与金属表面之间的相互作用。 同样，在原子表面产生的激发态的寿命 散射有助于确定散射光束的色散。 该项目的目标是制定评估方法， 金属表面对附近原子的影响，并预测 这种对原子表面散射影响的最终结果 问题.

Theoretical Description of Charge Transfer Processes Near Metal Surfaces - This project has the goal of increasing our understanding of charge transfer phenomena between atoms or simple molecules and metal surfaces. In the first part, the complex scaling technique will be used to calculate the electron tunneling probabilities between excited atomic (or molecular) states and a model metal surface. In particular, the effects of impurity coadsorption and of lateral corrugation (model lattice structure) of the surface potential on these tunneling rates will be investigated. These transition rates will then be combined with a time-dependent scattering model to allow description of charge transfer processes in collisions taking place between an atom (or molecule) and a metal surface. Again, influences specific to real metallic surfaces will be included into the model. %%% The energy and lifetime of excited states of atoms and molecules at or near metal surfaces are controlling factors in many dynamical phenomena taking place near surfaces. For example, atoms bound to the surface can be desorbed through the action of light or energetic electrons if an electronically excited antibonding state has a long enough lifetime. This lifetime, however, depends strongly on the interaction between the atom and the metal surface. Similarly, the lifetime of excited states generated in atom-surface scattering help to determine the dispersion of the scattered beam. The goal of this project is to develop methods for evaluating the effect of a metal surface on a nearby atom, and to predict the ultimate result of this influence on the atom-surface scattering problem.