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- W2012652124 abstract "Various ab initio CI treatments are reported for the 3Σ−g, 1Δg and 1Σ+g states of O2 with particular emphasis on the agreement obtained between calculated and experimental results for binding energies and bond distances of these species and also for transition energies between them. The utility of off-center s and p gaussians in describing the bonding process is stressed and the possibility of optimizing the configurations used in the calculations at each internuclear distance is considered." @default.
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- W2012652124 title "Comparison of various CI treatments for the description of potential curves for the lowest three states of O2" @default.
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