论文标题

评论:水合电子垂直脱离是真正的双峰吗?

Comment on: Is the Hydrated Electron Vertical Detachment Genuinely Bimodal?

论文作者

Signorell, Ruth

论文摘要

在最近的一篇文章中,戴维·巴特尔斯(David Bartels)解决了水合电子的真正结合能谱的带状问题。他本质上声称,与用于电离的光子能量无关,水合电子的真正结合能必须是高斯的形状,这与我们先前的工作中有关紫外线中的激发能(3.6-5.8 eV光子能)的兴奋能相反。此外,他声称,在我们先前工作中发现的真正结合能发现的不对称(双峰)分布必须是由于散射计算中使用的散射横截面的缺陷而导致的。巴特尔斯得出的结论是,这些缺陷源于原始拟合程序中用于确定散射横截面的原始拟合程序中使用的逃逸屏障的错误值为-1.0ev。在下文中,我们表明这些主张是毫无根据的,并且基于部分错误的假设。

In a recent article, David Bartels addresses the issue of the band shape of the genuine binding energy spectrum of the hydrated electron. He essentially claims that the genuine binding energy of the hydrated electron must be Gaussian in shape independent of the photon energy used for ionization, contrary to what was found in our previous work for excitations energies in the UV (3.6-5.8 eV photon energy). Further, he alleges that the asymmetric (bimodal) distribution found for the genuine binding energy in our previous work must have resulted from deficiencies in the scattering cross sections used in the scattering calculations. Bartels concludes that these deficiencies arise from an allegedly wrong value of -1.0eV for the escape barrier used in the original fitting procedure to determine the scattering cross section. In the following, we show that these claims are unfounded and based on partly incorrect assumptions.

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