波函数及其在稀土离子晶场参数从头计算中的应用

Wave Function and Its Application in Ab-initio Calculations on the CrystalField Parameters of Rare Earth Ions

量子力学主要研究微观粒子及其运动规律,波函数是其中一个非常基础且重要的概念。本文在简要介绍波函数概念的基础上,重点阐述其在物理学特别是在稀土离子晶场参数从头计算中的应用。通过铈离子掺杂发光材料体系计算实例的展示加强量子力学初学者对波函数概念的理解,并激发他们对量子力学课程学习的兴趣。

The microscopic particles and the corresponding law of motion are investigated in quantum mechanics. Thereinto, the wave function is the most basic and important concept. In this paper, the concept of wave function and its application in ab-initio calculations on the crystal-field parameters of rare earth ions are discussed in detail. According to the demonstration of the calculations on the Ce3＋-doped luminescent material, it is expected that beginners of the quantum mechanics can reinforce their understanding of the wave function and also develop the interest in the study of the quantum mechanics.