Spectroscopic constants for selected diatomic molecules. Standard uncertainties are between parentheses and refer to the least significant digits. Values are in wavenumber units .
Derivatives of ZPE with respect to spectroscopic constants, .
Estimated standard uncertainties associated with some diatomic ZPEs ( units) as determined using the full [Eq. (6)], diagonal [Eq. (7)], and pessimistic [Eq. (8)] approximations.
Truncation bias with respect to sextic diatomic vibrational model [Eqs. (9)–(13)]. The order of the fitting polynomial is .
Experimental vibrational zero-point energies for selected diatomic molecules. Combined standard uncertainties (1) are between parentheses and refer to the least significant digit. The combined uncertainties include both the estimated statistical uncertainties and the estimated uncertainties arising from truncation bias .
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