Simplified Hartree-Fock-Roothaan calculations of superhyperfine interactions for [VF6]4- and [CrF6]3- complexes - comparison with experiment |
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| Authors: | J. Emery J.C. Fayet |
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| Affiliation: | Laboratoire de Spectroscopie du Solide, E.R.A. No. 682, Faculte des Sciences, Route de Laval, 72017 le Mans, France |
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| Abstract: | We apply a simplified Hartree-Fock-Roothaan Hamiltonian to the calculation of the superhyperfine interaction for [VF6]4- and [CrF6]3- in KZnF3. We obtain a satisfactory agreement with EPR measurements. |
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