沸石中电子的光谱学:时域理论和材料性质的建模

H. Metiu, N. Blake
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引用次数: 0

摘要

我们建立了一个电子或离子与沸石框架相互作用的现实模型,并使用新开发的时间依赖理论来计算电子在各种沸石中吸收的光谱特性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Spectroscopy of an Electron in Zeolites: Time Domain Theory and the Modeling of the Material’s Properties
We have developed a realistic model for the interaction of an electron or an ion with a zeolite frame and used a newly developed time dependent theory to calculate the spectroscopic properties of an electron absorbed in various zeolites.
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