KPACK program: Inkoo Kim and Yoon Sup Lee, KPACK: Relativistic two-component ab initio electronic structure program package, Bull. Korean Chem. Soc. 34, 179 (2013) KRCASSCF module: Inkoo Kim and Yoon Sup Lee, Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: Theory, implementation, and applications to spin-orbit splitting of lower p-block atoms, J. Chem. Phys. 139, 134115 (2013) KRCASPT2 module: Inkoo Kim and Yoon Sup Lee, Two-component multi-configurational second-order perturbation theory with Kramers restricted complete active space self-consistent field reference function and spin-orbit relativistic effective core potential, J. Chem. Phys. 141, 164104 (2014) |