Abstract
Relativistic quantum calculations including configuration interaction and spin-orbit interaction are described for 11 low-lying states of PbO. Comparison calculations are presented for eight Lambda-S states obtained in the absence of spin-orbit interaction. These calculations were carried out by using relativistic effective core potentials. Spectroscopic properties of these low-lying states of PbO are computed and compared with the spectra resulting from chemiluminescent reactions of Pb with O/sub 3/, N/sub 2/O, etc. Possible assignments of the experimentally observed bands are suggested. Spectroscopic properties are predicted for several low-lying electronic states that have not yet been observed experimentally. The effect of spin-orbit interaction and the nature of CI wave functions are discussed and comparisons made with SnO. 13 references, 1 figure, 7 tables.
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