Two-component density functional theory study of quantized muons in solids

The quantum effect of light nuclei in materials is usually considered as lattice vibration and zero-point motion (ZPM) from an ab initio perspective. Here we start from...从从头算（ab initio）视角来看，材料中轻核的量子效应通常被视为晶格振动与零点运动（ZPM）。本文即以此为出发点展开相关研究。