Accuracy of the MRSD-CI technique in computing the X2∑+ ScO and TiN hyperfine tensors

The hyperfine tensors of X2∑+ ScO and TiN are computed using the multi-reference single and double excitation configuration interaction (MRSD-CI) method. The accuracy of this method is studied as the number of double excitations and reference configurations in the CI wave function is increased. The computed bF(45Sc) and bF(47Ti) parameters are within 92 and 93% of the experimental values respectively while those of c(45Sc) and c(47Ti) are within 97 to 99%. Thus the MRSD-CI technique seems to be a feasible tool for predicting the hyperfine parameters in this class of diatomics.