The 2Πg shape resonance of acetylene anion: an investigation with the RAC method
The 2Πg shape resonance of acetylene anion: an investigation with the RAC method
复制标题
乙炔阴离子的 2Πg 形状共振：RAC 方法的研究
DOI：
10.1140/epjd/e2016-70133-6
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发表时间：
2016
期刊：
影响因子：
--
通讯作者：
J. Horáček
中科院分区：
文献类型：
--
作者：
R. Čurík;I. Paidarová;J. Horáček
将新发展的正则化解析延拓法应用于乙炔阴离子2Πg共振的测定。该方法是基于计算阴离子在外部扰动场存在下的电子亲和的延拓。它独立于多电子系统的相关处理，允许应用精确的耦合簇方法进行电子结构计算，用于确定共振位置和宽度。图形抽象
Recently developed method of regularized analytic continuation (RAC) is applied to determination of the 2Πg resonance of acetylene anion. The method is based on continuation of the electron affinities calculated for the anion in presence of an external perturbation field. Its independence on the correlation treatment of the many-electron system allows application of accurate coupled-clusters methods for electronic structure calculations utilized in determination of the resonance position and width.Graphical abstract