Ab initio calculations of the ground and excited states of the ZnTe molecule and its ions ZnTe+ and ZnTe-
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Abstract
ZnTe has acquired a great interest due to its optoelectronic properties. It is essentially used in the detection of the terahertz (THZ) radiation. THZ radiation could soon replace the X-rays for applications in radiology and medical imaging referring to the advantage of being less energy and less ionizing than the latter. The objective of our work involves the study of the ground states and the excited states, particularly Rydberg states of ZnTe and determination of theirs properties (oscillator strength, energy…), which serves in studying electronic spectroscopy for such system. Calculations were carried out by means of several methods and bases gathered in the two softwares: ADF07 and G03.
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- europepmc
- last seen: 2026-05-19T01:45:01.086888+00:00
- unpaywall
- last seen: 2026-05-22T02:00:06.705733+00:00
License: CC-BY-4.0