Abstract

In this work, fully relativistic multi-configuration Dirac–Hartree–Fock approach for calculating atomic structure parameters has been presented and compared to other approaches such as Hartree–Fock pseudo-Relativistic (HFR) method. As an example of application, results of fully relativistic calculations for the ion Ca XV have been obtained and compared to Hartree–Fock pseudo-relativistic calculations and to NIST database values.This example is important for plasma diagnostic and astrophysical studies because Ca XV atomic data of high accuracy are still very scarce.

Graphical abstract

中文翻译：

---

完全相对论的多配置Dirac–Hartree–Fock方法用于多重带电离子的原子结构计算：Ca XV的示例

摘要

在这项工作中，已提出了用于计算原子结构参数的完全相对论多配置Dirac–Hartree–Fock方法，并将其与其他方法（例如Hartree–Fock伪相对论（HFR）方法）进行了比较。作为应用示例，已获得了离子Ca XV的完全相对论计算结果，并将其与Hartree-Fock伪相对论计算和NIST数据库值进行了比较。该示例对于血浆诊断和天体研究非常重要，因为Ca XV原子数据高精度仍然非常稀缺。

图形概要