Abstract
It is first shown by the MCSCF variational method that an optimized set of effective one-electron orbitals is obtained for the many-electron states of Li4 microcluster and that its lower excited and ground states correspond to the multiplets consisting of mainly a single electron configuration. Then the mechanisms of photodissociation are investigated by calculating the adiabatic potentials for two dissociation processes of Li4→Li3+Li and Li4→2Li2. It is concluded that photodissociation occurs with the loss of one atom rather than two atoms.
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© 1987 Springer-Verlag Berlin Heidelberg
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Sugino, O., Kamimura, H. (1987). Theoretical Study on Photodissociation Processes of Lithium Metal Microclusters. In: Sugano, S., Nishina, Y., Ohnishi, S. (eds) Microclusters. Springer Series in Materials Science, vol 4. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-83064-8_21
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DOI: https://doi.org/10.1007/978-3-642-83064-8_21
Publisher Name: Springer, Berlin, Heidelberg
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