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- W174019669 abstract "We have carried out extensive ab initio calculations of the electronic structure of methane, and these results are used to compute vibrational energy levels. We include basis set extrapolations, core-valence correlation, relativistic effects, and Born- Oppenheimer breakdown terms in our calculations. Our ab initio predictions of the lowest lying levels are superb." @default.
- W174019669 created "2016-06-24" @default.
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- W174019669 date "2013-08-07" @default.
- W174019669 modified "2023-09-26" @default.
- W174019669 title "Towards Accurate AB Initio Predictions of the Spectrum of Methane" @default.
- W174019669 hasPublicationYear "2013" @default.
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