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- W1899960440 abstract "The authors revisited the Mollwo--Ivey relation of $F$ centers in alkali halide crystals, a prototypical color center, based on post-density-functional-theory and post-Hartree-Fock methods. In contrast to earlier interpretations, which stress the importance of the Madelung potential, they find ion-size effects to be the predominant mechanism. These determine the shape of the defect-electron wave function and are responsible for the fractional Mollwo--Ivey exponent of 1.8." @default.
- W1899960440 created "2016-06-24" @default.
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- W1899960440 date "2015-10-14" @default.
- W1899960440 modified "2023-09-25" @default.
- W1899960440 title "<i>Ab initio</i>perspective on the Mollwo-Ivey relation for<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mi>F</mml:mi></mml:mrow></mml:math>centers in alkali halides" @default.
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- W1899960440 doi "https://doi.org/10.1103/physrevb.92.144107" @default.
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