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首页> 外文期刊>The Journal of Chemical Physics >Ozone: Unresolved discrepancies for dipole oscillator strength distributions, dipole sums, and van der Waals coefficients
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Ozone: Unresolved discrepancies for dipole oscillator strength distributions, dipole sums, and van der Waals coefficients

机译：臭氧：偶极子振荡器强度分布，偶极子总和和范德华系数的未解决差异

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摘要

Dipole oscillator strength distributions (DOSDs) for ozone are constructed from experimental photoabsorption cross-sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule, the high-energy behavior of the dipole-oscillator-strength density, and molar refractivity data. A lack of photoabsorption data in the intermediate energy region from 24 to 524 eV necessitates the use of a mixture rule in that region. For this purpose, a DOSD for O_2 is constructed first. The dipole properties for O_2 are essentially the same as those obtained in earlier work even though most of the input data is from more recent experiments. A discrepancy is found between the refractivity data and photoabsorption data in the 10-20.6 eV range for ozone. A reliable ozone DOSD of the sort obtained for many other species remains out of reach. However, it is suggested that the true dipole properties of ozone lie between those predicted by two distributions that we present.
机译：臭氧的偶极子振荡器强度分布（DOSD）是根据实验性光吸收横截面，结合Kuhn-Reiche-Thomas总和规则，偶极子振荡器强度密度的高能行为和摩尔折射率数据来构造的。在24至524 eV的中间能量区域中缺乏光吸收数据，因此必须在该区域中使用混合规则。为此，首先构造用于O_2的DOSD。尽管大多数输入数据来自较新的实验，但O_2的偶极性质与早期工作中获得的性质基本相同。在臭氧的折射率数据和光吸收数据之间发现差异在10-20.6 eV范围内。对于许多其他物种而言，获得可靠的臭氧DOSD仍然遥不可及。但是，有人建议说，臭氧的真实偶极子特性介于我们通过两种分布预测的臭氧之间。

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