Spin–orbit splitting in 2Δ states of diatomic molecules

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Abstract
The origin of the splitting of the 2Δ states arising from the σπ2 configuration is studied. For light diatomic molecules, the splitting is shown to arise from the spin–other–orbit interaction which gives a small negative value for the spin–orbit coupling constant A. Non-empirical calculations of A for the 2Δ states of the CH, NH+, and NO molecules are in good agreement with experiment. In heavier molecules, the spin–other–orbit interaction becomes negligible and the second-order spin–orbit effect is dominant.

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