Abstract
A model hamiltonian is derived describing the interaction of two adsorbates. The nonorthogonality of the basis set is converted into a renormalization of the matrix elements. The interaction energy, direct and indirect of two hydrogen atoms and single particle spectral densities are calculated for adsorption on a semi infinite simple cubic solid. Correlation effects are included by a variational ansatz.
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Hartung, V. On the interaction between chemisorbed atoms at transition metal surfaces. Z Physik B 32, 307–313 (1979). https://doi.org/10.1007/BF01351508
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DOI: https://doi.org/10.1007/BF01351508