<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Zhichen Pu</style></author><author><style face="normal" font="default" size="100%">Hao Li</style></author><author><style face="normal" font="default" size="100%">Ning Zhang</style></author><author><style face="normal" font="default" size="100%">Hong Jiang</style></author><author><style face="normal" font="default" size="100%">Yi Qin Gao</style></author><author><style face="normal" font="default" size="100%">Yunlong Xiao</style></author><author><style face="normal" font="default" size="100%">Qiming Sun</style></author><author><style face="normal" font="default" size="100%">Yong Zhang</style></author><author><style face="normal" font="default" size="100%">Sihong Shao</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Noncollinear density functional theory</style></title><secondary-title><style face="normal" font="default" size="100%">Physical Review Research</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2023</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">https://doi.org/10.1103/PhysRevResearch.5.013036</style></url></web-urls></urls><volume><style face="normal" font="default" size="100%">5</style></volume><pages><style face="normal" font="default" size="100%">013036</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">An approach to generalize any kind of collinear functional in density functional theory to noncollinear functionals is proposed. This approach satisfies the correct collinear limit for any kind of functional, guaranteeing that the exact collinear functional after generalization is still exact for collinear spins. Besides, it has well-defined and numerically stable functional derivatives, a desired feature for noncollinear and spin-flip time-dependent density functional theory. Furthermore, it provides local torque, hinting at its applications in spin dynamics.</style></abstract><issue><style face="normal" font="default" size="100%">1</style></issue></record></records></xml>