TY  - RPRT
TI  - Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory
AU  - Kang, Richard [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000189011723)
AU  - 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)
AU  - 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)
AU  - Head-Gordon, Martin [University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000243096669)
PY  - 2025
DO  - 10.1021/acs.jctc.5c00809
UR  - https://www.osti.gov/biblio/2587699
ID  - 2587699
ER  -