C K-shell absorption and single-hole ionization in the CO molecule in the vicinity of the shape resonance

C K-shell absorption and single-hole ionization in the CO molecule in the vicinity of the shape resonance
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C K壳层吸收和CO分子在形状共振附近的单空穴电离

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发表时间:
1999
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通讯作者:
A. Pavlychev
A. Pavlychev
中科院分区:
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作者:
A. Pavlychev

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在光势概念和准原子模型的框架下,发现初级光电子与价电子的非弹性散射在CO的C-K壳层光激发中是重要的。对CO中C-K光激发的计算表明,光电子-价电子(PEVE)关联导致:(a)单电子的减少,与光电子非弹性阈值正上方的吸收横截面相比的空穴电离横截面,(B)阈值(302 eV)处两个横截面的异常光谱依赖性和(c)形状共振的上移(2.3 eV)。理论和实验的比较(Koppe等人1996 Chem.Phys.Lett. 260 ~ 223)C K壳层吸收谱和单空穴电离谱证实了PEVE相关性。高躺分子亚稳态的重要性,在C-K壳层光激发的CO。
Inelastic scattering of the primary photoelectron by valence electrons is found to be important in C K-shell photoexcitation of CO. Within the framework of the optical potential concept and the quasi-atomic model, the performed calculations of C K photoexcitation in CO have shown that the photoelectron-valence electron (PEVE) correlations lead to (a) the decrease of the single-hole ionization cross section in comparison with the absorption cross section right above the photoelectron inelastic threshold, (b) an anomalous spectral dependence of both cross sections at the threshold ( 302 eV) and (c) an upward shift ( 2.3 eV) of the shape resonance. A comparison of the theoretical and experimental (Koppe et al1996 Chem. Phys. Lett. 260 223) C K-shell absorption and single-hole ionization spectra gives evidence of the PEVE correlations. The importance of higher-lying molecular metastable states in C K-shell photoexcitation of CO is shown.