Quantum Dynamics in Particle Interactions with Complex Surfaces

这项研究将涉及慢速原子和离子与阶梯纳米结构金属和绝缘体表面碰撞的计算研究。采用时变波包传播方法对薛定谔方程进行数值求解。半经验参数化表面，调整以再现带隙，表面状态和电离势被用来表示入射粒子和表面的相互作用。

The research will involve computational studies of the collisions of slow atoms and ions with stepped nanostructured metal and insulator surfaces. Time-dependent wavepacket propagation methods are used to carry out numerical solutions of the Schroedinger equation. Semi-empirical parametrized surfaces, adjusted to reproduce band gaps, surface states and ionization potentials are used to represent the interactions of the incident particles and the surface.