Theoretical study of the potential energy curves of the series of diatomic radicals MeIIX. I. Method and its application to BeF radical |
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Authors: | Raffaele Montagnani Pierluigi Riani Oriano Salvetti |
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Institution: | (1) Istituto di Chimica Quantistica ed Energetica Molecolare del C.N.R., Via Risorgimento 35, I-56100 Pisa, Italy |
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Abstract: | A method for calculating potential energy curves of some low lying states of the diatomic radicals MeIIX (MeII = second group metal, X = halogen) is outlined. Because of the electronic structure of these compounds, applications to electronic transition lasers can be made. The first calculation regards the most simple example of this series, i.e. the BeF radical. The division of the procedure into separated steps allows a sure control of the quality of the results. |
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Keywords: | Electronic transition lasers BeF potential energy curves of " target="_blank">gif" alt="sim" align="MIDDLE" BORDER="0"> |
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