
Defect complexes exhibit intricate electronic spectra, which can neither be described as a superposition of the constituent defect spectra, nor via conventional perturbative treatment applied thereupon. Instead, one must evaluate changes in the all-electron wave function in order to predict defect complex spectra. To this end, I present a theory that predicts the defect complex electronic structure from the spectra of its constituents via atomic shielding constants, derived from a local charge conservation rule. This theory should be considered an alternative to perturbation theories and can be used to describe the wave-function mechanics of any chemical system.
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 8 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
