期刊
HIGH ENERGY CHEMISTRY
卷 40, 期 4, 页码 230-233出版社
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S0018143906040060
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The intensities and dipole moments of the lower singlet-triplet transitions (3)A(2) <- X(1)A(1) and B-3(1) <- X(1)A(1) in the ozone molecule were calculated by the multiconfiguration self-consistent field theory with the quadratic response function. The results of calculations of the intensities of singlet-triplet transitions using different basis sets and complete active spaces were compared. The assignment of the (3)A(2) <- X(1)A(1) transition in the ozone spectrum to the Wulf band is discussed.
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