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Model core potentials for studies of scalar-relativistic effects and spin-orbit coupling at Douglas–Kroll level. I. Theory and applications to Pb and Bi

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High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds

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Parallel multireference configuration interaction calculations on mini-β-carotenes and β-carotene

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A direct relativistic four-component multiconfiguration self-consistent-field method for molecules

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Large-scale parallel configuration interaction. I. Nonrelativistic and scalar-relativistic general active space implementation with application to (Rb–Ba)+

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