Surface crossing in interaction of atomic hydrogen with a lithium metal cluster |
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| Authors: | J. Vojtík J. Fišer R. Polák |
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| Affiliation: | J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences, 121 38 Prague, Czechoslovakia |
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| Abstract: | Interaction of atomic hydrogen with a (4,1,4) lithium cluster, simulating the (100) metal surface, is studied using the diatomics-in-molecules method. Ground-and excited-state potential curves for normal approach ofH to some attack positions on the surface intersect or pseudo-intersect. The results reveal possible non-adiabatic character of the absorption process. |
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| Keywords: | Author to whom correspondence should be addressed. |
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