COMMENT ON “OSCILLATORY INDIRECT INTERACTION BETWEEN ADSORBED ATOMS - NON-ASYMPTOTIC BEHAVIOR IN TIGHT-BINDING MODELS AT REALlSTIC PARAMETERS” BY K.H. LAU AND W. KOHN
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Comment on "Dissociation of O2 at Al(111): the role of spin selection rules".
A most basic and puzzling enigma in surface science is the description of the dissociative adsorption of O(2) at the (111) surface of Al. Already for the sticking curve alone, the disagreement between experiment and results of state-of-the-art first-principles calculations can hardly be more dramatic. In this Letter we show that this is caused by hitherto unaccounted spin selection rules, which...
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