Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods

Recommended citation: Gao, Xing, Shuming Bai, Daniele Fazzi, Thomas Niehaus, Mario Barbatti, and Walter Thiel. "Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods." Journal of Chemical Theory and Computation 13, no. 2 (2017): 515-524.