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• W2557094561 abstract "The low-lying singlet and triplet states of MgO have been studied using a SA-CASCF/IC-MRCI approach using the aug-cc-pV5Z basis set. The spectroscopic constants (re,ωe, and Te) are in good agreement with the available experimental data. The computed lifetime for the B state is in excellent agreement with two of the three experimental results. The d state lifetime is in good agreement with experiment, while the computed D state lifetime is about twice as long as experiment." @default.
• W2557094561 created "2016-11-30" @default.
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• W2557094561 date "2017-09-01" @default.
• W2557094561 modified "2023-10-16" @default.
• W2557094561 title "The low-lying electronic states of MgO" @default.
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• W2557094561 doi "https://doi.org/10.1016/j.cplett.2016.11.003" @default.
• W2557094561 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7370976" @default.
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