Abstract
For purposes of comparison of the accuracies of the Hartree-Fock Cluster and Discrete Variational Method Cluster procedures currently in use for investigation of hyperfine properties of solid state systems, we have studied by both procedures the nuclear quadrupole interactions and silicon-halogen bond distances in the monohalosilane systems SiH3X(X=F, Cl, Br and I). Very good agreement is found between the results by the two procedures and with experiment.
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References
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Lindgren, B., Sahoo, N., Sulaiman, S.B. et al. Comparison of hyperfine properties of halosilanes by two different cluster procedures. Hyperfine Interact 61, 1189–1192 (1990). https://doi.org/10.1007/BF02407599
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DOI: https://doi.org/10.1007/BF02407599