Benchmark study on H2/Si(001) becomes a texbook knowledge

Post date: Oct 11, 2016 2:51:51 PM

In his textbook, Electronic Structure. Basic Theory and Practical Methods (Section 13.4, paragraph on "Surfaces"), Richard Martin  resorts to our study of the effect of the cluster size in modeling the H2 desorption and dissociative adsorption on the Si(001) surface [J. Chem. Phys.110, 3986 (1999)]. He was also kind to include our Fig. 1 as Figure 13.7.