Quantum Instanton Evaluations of the Thermal Rate Constants for
Complex Systems
Figure 10
A lattice model with a few Ni atoms for the process of H diffusion in interior of bulk Ni. Ocinte and Teinte are the abbreviations for an interior octahedral vacancy and an interior tetrahedral vacancy, respectively. The black lines stand for the general directions of the reaction paths. The atoms of , and Ni6 colored in orange are specially used to determine the reaction coordinate of the process .
