NASA Technical Reports Server (NTRS) : Towards pdf

NASA Technical Reports Server (NTRS) : Towards

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Description of the Book:

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

• Creator/s: NASA Technical Reports Server (NTRS
• Date: 7/20/2001
• Year: 2001
• Book Topics/Themes: NASA Technical Reports Server (NTRS), ELECTRONIC STRUCTURE, METHANE, VIBRATIONAL STATES, ELECTRONIC SPECTRA, VIBRATIONAL SPECTRA, EXTRAPOLATION, RELATIVISTIC EFFECTS, VALENCE, PREDICTIONS, Schwenke, David W

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