H/Ni（111）量子扩散的Monte Carlo波函数方法
Quantum Diffusion of H/Ni(111) through the Monte Carlo Wave Function Formalism
摘要：
本文用蒙特卡罗波函数方法研究了一个多自由度耗散背景耦合的量子系统。该方法不处理可能是非常高维的密度矩阵，而是将随机薛定谔方程与演化算子中的非厄米阻尼项和随机量子跳跃相结合。该方法适用于100 K以下氢在Ni（111）表面的扩散。我们表明，最近的实验扩散数据，该系统可以理解，通过带间激活过程，然后通过量子隧穿。
英文摘要：
We consider a quantum system coupled to a dissipative background with many degrees of freedom using the Monte Carlo Wave Function method. Instead of dealing with a density matrix which can be very high-dimensional, the method consists of integrating a stochastic Schrodinger equation with a non-hermitian damping term in the evolution operator, and with random quantum jumps. The method is applied to the diffusion of hydrogen on the Ni(111) surface below 100 K. We show that the recent experimental diffusion data for this system can be understood through an interband activation process, followed by quantum tunnelling.
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