@misc{indiciae947f481e6cd5, title = {Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory}, author = {Kang, Richard [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000189011723) and Cunha, Leonardo A. [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Flatiron Institute, New York, NY (United States)] (ORCID:0000000326712375) and Hait, Diptarka [Columbia University, New York, NY (United States); Flatiron Institute, New York, NY (United States); Stanford University, CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)] (ORCID:000000031570920X) and Head-Gordon, Martin [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000243096669)}, year = {2025}, doi = {10.1021/acs.jctc.5c00809}, url = {https://www.osti.gov/biblio/2587699}, note = {Source identifier: 2587699} }