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- W2022650439 abstract "The magnetic hyperfine constants of the ${V}_{k}$ center in Ca${mathrm{F}}_{2}$, Sr${mathrm{F}}_{2}$, and Ba${mathrm{F}}_{2}$ have been calculated assuming a phenomenological model, based on the ${mathrm{F}}_{2}^{ensuremath{-}}$ central molecule, to describe the wave function of the defect. Calculations have shown that introduction of a small degree of covalency between this central molecule and neighboring ions is necessary to improve the electronic structure description of the defect. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of the ions neighboring the central molecule; these relaxations have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different theoretical methods have been used." @default.
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- W2022650439 date "1977-04-15" @default.
- W2022650439 modified "2023-10-14" @default.
- W2022650439 title "Magnetic hyperfine constants and lattice distortion of theVkcenter in CaF2, SrF2, and BaF2" @default.
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- W2022650439 doi "https://doi.org/10.1103/physrevb.15.4091" @default.
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