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Toward a description of electron-induced dissociative excitation inH2O+: Investigation of three resonances above theB̃state
Physical Review A ( IF 2.6 ) Pub Date : 2021-03-04 , DOI: 10.1103/physreva.103.032804
I. Rabadán , J. D. Gorfinkiel

Electron-induced dissociative excitation (DE) is a little studied process of significant applied relevance. Our aim is to provide a theoretical counterpart to earlier experiments [M. J. Jensen, R. C. Bilodeau, O. Heber, H. B. Pedersen, C. P. Safvan, X. Urbain, D. Zajfman, and L. H. Andersen, Phys. Rev. A 60, 2970 (1999)] on DE of H2O+. For this purpose, we have performed low-energy fixed-nuclei scattering calculations, based on the R-matrix method, for over 1800 geometries of H2O+. We have identified and characterized three resonances lying above the second (B̃) excited state of H2O+; their energy, lifetime, and associated quantum defect have been determined. We assess their possible contribution to the DE process.

中文翻译:

对H2O +中电子诱导的解离激发的描述:B̃态以上三个共振的研究

电子诱导的离解激发(DE)是经过研究的,具有重要应用意义的过程。我们的目标是为早期实验提供理论上的对等[MJ Jensen,RC Bilodeau,O。Heber,HB Pedersen,CP Safvan,X。Urbain,D。Zajfman和LH Andersen,Phys。版本A 60,2970(1999)]上的DEH2个Ø+。为此,我们基于R矩阵方法对1800多个几何形状的分子进行了低能固定核散射计算。H2个Ø+。我们已经确定并确定了第二个共振之上的三个共振̃ 的兴奋状态 H2个Ø+; 已经确定了它们的能量,寿命和相关的量子缺陷。我们评估了它们对DE过程的可能贡献。
更新日期:2021-03-04
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