Eur. Phys. J. B 17, 189-200 (2000)
https://doi.org/10.1007/s100510070132

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

A.N. Frumkin Institute of Electrochemistry of the Russian Academy of Sciences, Leninsky prospect 31, 117071 Moscow, Russia

Received: 8 July 1999
Revised: 24 January 2000
Published online: 15 September 2000

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.