Ab initio study of the effects of cesium
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M.M. Marino; W.C. Ermler
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Article
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1991
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Elsevier Science
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English
β 418 KB
Hydrogen, oxygen and cesium adsorption on beryllium metal were modelled using a Bed5 cluster containing seven layers. The ab initio'Hartree-Fock calculations employ effective core potentials and full Dgi, point-group symmetry. Cesiation of the surface is found to lower the work function by 2.2 eV, i