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- W2036345957 abstract "A theoretical interpretation of the superhyperfine interactions, the proton hyperfine interaction, and the g-factor of H centres in KF, KC1, KBr, NaCl, and RbCl is presented. The anisotropic distribution of the hydrogen electron into the lattice is well explained by a wave function which was obtained by orthogonalization of the hydrogen Is function to an internally orthogonal set of crystal ion orbitals. A slight covalency to the nearest halogen neighbours is taken into account. The g-factor can also be understood on the basis of this wave function, if the electronic as well as the charge transfer excited states are considered. In order to explain the proton hyperfine interaction the influence of van der Waals forces has to be included. Es wird eine theoretische Interpretation der Superhyperfein-Wechselwirkungen, der Proton-Hyperfein-Wechselwirkung und des g-Faktors von H-Zentren in KF, KCl, KBr, NaCl und RbCl gegeben. Die anisotrope Verteilung des Wasserstoffelektrons in das Gitter wird gut erklärt mit einer Wellenfunktion, die durch Orthogonalisierung der Wasserstoffls-Funktion zu einem intern orthogonalen Satz von Kristallionen-Orbitalen erhalten wurde. Eine leichte Kovalenz zu den nächsten Halogen-Nachbarn wird dabei berück-sichtigt. Der g-Faktor kann ebenfalls aufgrund dieser Wellenfunktion verstanden werden, wenn sowohl die elektronischen angeregten Zustände wie auch die mit charge-transfer-Charakter berücksichtigt werden. Zur Erklärung der Proton-Hyperfein-Wechselwirkung muß der Einfluß von van der Waals-Kräften betrachtet werden." @default.
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- W2036345957 date "1971-07-01" @default.
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- W2036345957 title "ESR and ENDOR Investigation of Interstitial Hydrogen Atoms in Alkali Halides. II. Theoretical Interpretation" @default.
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- W2036345957 doi "https://doi.org/10.1002/pssb.2220460130" @default.
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