Perturbative spin-orbit couplings for the simulation of extended framework ma...

A comprehensive description of photo-chemical processes in materials, comprising spin-forbidden processes such as intersystem crossing and phosphorescence, implies to take into...本数据集对材料中的光化学过程进行全面阐述，涵盖体系间窜越（intersystem crossing）、磷光（phosphorescence）等自旋禁阻过程，旨在考量……