NASA NTRS · 20020048637
An Accurate D0 value for SiF
Abstract
A highly accurate D0 value is determined for SiF using the CCSD(T) approach in conjunction with basis set extrapolation. The result includes the effect of spin-orbit coupling and core-valence correlation. Our best estimate for D0 is 141.3 kcal/mol, which we estimate to have an uncertainty of 0.5 kcal/mol and must be accurate to 1.0 kcal/mol. This value is significantly larger than experiment and slightly larger than previous calculations.
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Bauschlicher, Charles W., Jr., Ricca, Alessandra, Arnold, James O.. 1997-01-01. An Accurate D0 value for SiF. https://ntrs.nasa.gov/citations/20020048637
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