Abstract
Starting from a nonorthogonal basis set a model Hamiltonian for the chemisorption of two adsorbates is derived. The nonorthogonality is converted into a renormalization of the matrix elements. A solution is presented which becomes exact in two limiting cases. The indirect interaction energy of two hydrogen atoms is calculated for adsorption on a semi infinite simple cubic solid described by ans-band. For the band nearly filled (parameters of Ni) a 2 × 2 structure seems to be energetically favourable.
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Schönhammer, K., Hartung, V. & Brenig, W. On correlation effects in the indirect interaction between adatoms. Z Physik B 22, 143–150 (1975). https://doi.org/10.1007/BF01322358
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DOI: https://doi.org/10.1007/BF01322358