TY - RPRT TI - Comparison of Variational and Perturbative Spin–Orbit Coupling within Two-Component CASSCF AU - Liao, Can AU - Hoyer, Chad AU - Banerjee Ghosh, Rahoul AU - Jenkins, Andrew (ORCID:0000000210145225) AU - Knecht, Stefan (ORCID:0000000198182372) AU - Frisch, Michael AU - Li, Xiaosong (ORCID:0000000173416240) PY - 2024 DO - 10.1021/acs.jpca.3c08031 UR - https://www.osti.gov/biblio/2577430 ID - 2577430 ER -