An accurate description of the ground and excited states of CH
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چکیده
With the high accuracy afforded by the sextuple correlation consistent basis set of Dunning, we have calculated energy levels, dissociation energies, equilibrium distances, and other spectroscopic constants for eleven valence and four Rydberg states of the CH radical. Comparisons with experimental and previous theoretical results are made for each state that has been treated. An understanding of their binding is attempted by means of simple valence bond–Lewis diagrams. © 1999 American Institute of Physics. @S0021-9606~99!30245-2#
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تاریخ انتشار 1999