GRASP2018 软件包的二阶 Rayleigh-Schrödinger 微扰理论：三粒子费曼图对芯-价关联的贡献
Second-Order Rayleigh-Schrödinger Perturbation Theory for the GRASP2018 Package: Three-Particle Feynman Diagram Contribution to Core-Valence Correlations
浏览论文内容
中文总结 AI 辅助
本文扩展了基于二阶 Rayleigh-Schrödinger 微扰理论的方法，以涵盖更多芯-价关联类型，并用于精确计算原子性质，示例为 Ne II 的能级和寿命。
中文摘要 AI 辅助
为了确定精确的原子特性，在计算分析中纳入广泛的电子关联是重要的。然而，值得注意的是，开展此类研究将导致 CSF 展开的显著增加。本出版物以及由 G. Gaigalas、P. Rynkun 和 L. Kitovienė 发表的一系列文章，致力于分析和解决该问题。在该系列中，开发了一种基于二阶微扰理论的方法，以识别最重要的芯-价、芯、芯-芯和价-价关联。所讨论的方法基于相对论组态相互作用方法与不可约张量形式下的稳态二阶 Rayleigh-Schrödinger 多体微扰理论的结合。在本研究中，该方法进一步扩展以涵盖第三和第四类型的额外芯-价电子关联。相反，未被微扰理论涵盖的关联则以常规方式处理。该方法可用于计算具有任意数量价电子和芯电子的原子或离子的性质。作为其应用示例，给出了 Ne II 的能级结构和寿命的原子计算。
英文摘要
In order to ascertain the precise atomic characteristics, it is important to incorporate a wide range of electron correlations in the computational analysis. However, it is important to note that undertaking such studies will result in substantial increases of the CSF expansions. The present publication, as well as the series of articles that have been published by G. Gaigalas, P. Rynkun, and L. Kitovienė, are dedicated to the analysis and resolution of the problem in question. In this series, a method was developed based on second-order perturbation theory to identify the most important core-valence, core, core-core, and valence-valence correlations. The method under discussion is based on a combination of the relativistic configuration interaction method and the stationary second-order Rayleigh-Schrödinger many-body perturbation theory in an irreducible tensorial form. In this study, the method is further expanded to encompass additional core-valence electron correlations of the third and fourth types. Conversely, the correlations that are not encompassed by perturbation theory are addressed in a conventional manner. This method can be used to calculate the properties of an atom or ion with any number of valence and core electrons. As an example of its application, the atomic calculations of the energy structure and lifetime for Ne II are presented.
发表机构
- Institute of Theoretical Physics and Astronomy, Faculty of Physics, Vilnius University（维尔纽斯大学物理学院理论物理与天文研究所）
机构由 AI 辅助整理，请以论文原文为准。
