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Potential energy curves for NO+
The Journal of Chemical Physics, 1979In recent years, high-resolution photoelectron spectroscopy and ab initio calculations have considerably revised and enlarged the understanding of the electronic structure of the NO+ ion. Based on these results, new potential energy curves for the electronic states of NO+ below 24 eV have been constructed and are given here.
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Spectroscopic constants and potential energy curves of GeH+
Journal of Molecular Spectroscopy, 1990Abstract Complete active space multiconfiguration self-consistent field (CAS-MCSFC) followed by full second-roder CI (SOCI) and relativistic configuration interaction (RCI) including spin-orbit coupling calculations are carried out on 14 λ-s and 10 ω-ω states of HfH. The spectroscopic constants (re, Te, ωe, μe, De) of these states are computed.
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