Study on the molecular orbital energies of ruby under pressure
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DOI: 10.1016/j.optmat.2020.110375
Abstract: Abstract We calculated the molecular orbital (MO) energies of α-Al2O3: Cr3+ (ruby) under pressure non-empirically based on one-electron calculations. The pressure was applied to the samples from ca. 0–110 GPa. Two different approaches to estimate the… read more here.
Keywords: molecular orbital; energies ruby; study molecular; ruby pressure ... See more keywords