This review provides an overview of the different methods and computer codes that are used to interpret 2p x-ray absorption spectra of 3d transition metal ions. We first introduce the basic parameters and give an overview of the methods used. We start with the semi-empirical multiplet codes and compare the different codes that are available. A special chapter is devoted to the user friendly interfaces that have been written on the basis of these codes. Next we discuss the first principle codes based on band structure, including a chapter on Density Functional theory based approaches. We also give an overview of the first-principle multiplet codes that start from a cluster calculation and we discuss the wavefunction based methods, including multi-reference methods. We end the review with a discussion of the link between theory and experiment and discuss the open issues in the spectral analysis.

这篇综述概述了用于解释3d过渡金属离子的2p x射线吸收光谱的不同方法和计算机代码。我们首先介绍基本参数，并对使用的方法进行概述。我们从半经验多重编码开始，然后比较可用的不同编码。特别章节专门介绍了基于这些代码编写的用户友好界面。接下来，我们讨论基于带结构的第一个原理代码，包括有关基于密度泛函理论的方法的一章。我们还概述了从聚类计算开始的第一原理多重峰代码，并讨论了基于波函数的方法，包括多参考方法。