Abstract
Starting from the Hartree-Fock approximation a general variational ansatz for the ground state of the metal-hydrogen system is presented which properly describes the strong correlation effects occuring at larger distances from the surface. As a simple example the Anderson model is studied. The calculated ground state energies are in excellent agreement with exact model calculations.
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Schönhammer, K. A variational method for hydrogen chemisorption. Z Physik B 21, 389–392 (1975). https://doi.org/10.1007/BF01325399
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DOI: https://doi.org/10.1007/BF01325399