Dissociation energies and potential energy functions for the ground X ^{1}Σ^{+} and "avoidedcrossing" A ^{1}Σ^{+} states of NaH
Abstract
A directpotentialfit analysis of all accessible data for the A ^{1}Σ^{+}  X ^{1}Σ^{+} system of NaH and NaD is used to determine analytic potential energy functions incorporating the correct theoretically predicted longrange behaviour. These potentials represent all of the data (on average) within the experimental uncertainties and yield an improved estimate for the groundstate NaH well depth of 𝔇_{e} = 15797.4 (±4.3) cm^{1}, which is ̃20 cm^{1} smaller than the best previous estimate. The present analysis also yields the first empirical determination of centrifugal (nonadiabatic) and potentialenergy (adiabatic) BornOppenheimer breakdown correction functions for this system, with the latter showing that the Astate electronic isotope shift is 1.1(±0.6) cm^{1} going from NaH to NaD.
 Publication:

Journal of Chemical Physics
 Pub Date:
 January 2015
 DOI:
 10.1063/1.4906086
 Bibcode:
 2015JChPh.142d4305W