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- W2056852299 abstract "The Hartree-Fock-Rutane method in a semi-empirical version of the average neglect of differential overlapping has been used for calculation of the electronic structure and the spectroscopic properties of the SH− ion in potassium chloride. The orientation of impurity defect, shifts of surrounding ions, energies of optical absorption, ratios of harmonic frequencies and the first derivatives of dipole moment function of ions in free state and in a crystal were determined. The obtained values are in a good agreement with experimentally measured data." @default.
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- W2056852299 date "2003-01-01" @default.
- W2056852299 modified "2023-09-26" @default.
- W2056852299 title "Sh−Defects in Potassium Chloride Crystals" @default.
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- W2056852299 doi "https://doi.org/10.1080/1042015021000052241" @default.
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