Close-up visualizations of (A) the HOMO and (B) LUMO single-particle electron states in the 64CaO glass. Both states are spin-degenerate, and h1 labels the cavity (cage) occupied by LUMO. Yellow and magenta stand for different signs of the wave-function nodes. (C) Simulation box and the electron spin-density of the 64CaO glass with one oxygen subtracted at h2—that is, with two additional electrons. The two electrons have the same spin and they occupy separate cavities, h1 (boundary, also shown in B) and h2 (center, location of removed oxygen), which are separated by 12 Å from each other. (D) Cage structure around the spin-density of one electron cor- responding to the h2 cavity (close-up from C). Al, gray; Ca, green; O, red.
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