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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 Kim, Inkoo; Lee, Yoon Sup, JOURNAL OF CHEMICAL PHYSICS, v.139, no.13, 2013-10 |
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 Kim, In-Koo; Lee, Yoon-Sup, JOURNAL OF CHEMICAL PHYSICS, v.141, no.16, 2014-10 |
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