The calculation of the chemisorption energy using the new diagram technique for the Anderson model

Abstract:

Using the perturbation expansion in the rebonding interaction near the surface molecule limit, the new diagram technique for the calculation of the chemisorption energy in the Anderson model is proposed. The new expression for the chemisorption energy in the ring diagram approximation is presented. The approximate expression for the contribution of the non- ring diagrams is suggested. The chemisorption energies are calculated and compared with the available exact results and others in the literature. A simple explanation of observable trends in hydrogen chemisorption energies along the transition metal series is given based on the rebonding surface molecule picture.