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.
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