Dissociative electron attachment in C 2 H via electronic resonances
Dissociative electron attachment in C 2 H via electronic resonances
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通过电子共振在 C 2 H 中游离电子附着
DOI：
10.1080/00268976.2021.1979262
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发表时间：
2021
影响因子：
1.7
通讯作者：
Krylov, Anna I.
中科院分区：
文献类型：
--
作者：
Gulania, Sahil;Krylov, Anna I.
微波激发CH/H等离子体化学气相沉积金刚石的研究表明，电子激发C（B）的存在。利用高能级电子结构方法，我们研究了CH的电子结构，并提出了基态（X）和激发态（B）通过电子共振形成CH的可能途径.为了描述电子亚稳态，我们采用了运动方程的耦合集团方法，增加了复杂的吸收势。共振波函数分析使用自然过渡轨道。我们确定了CH中的几个共振，包括可能导致C（B）的状态。
Investigation of microwave-activated CH/Hplasma used in chemical vapour deposition of diamond revealed the presence of electronically excited C(B). Using high-level electronic structure methods, we investigate electronic structure of CHand suggest possible routes for the formation of Cin the ground (X) and excited (B) states via electronic resonances. To describe electronically metastable states, we employ the equation-of-motion coupled-cluster method augmented by the complex absorbing potential. The resonance wavefunctions are analysed using natural transition orbitals. We identified several resonances in CH, including the state that may lead to C(B).