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To obtain this energy an atomic CAS MCSCF state average calculation (5d orbitals, 3 electrons) was performed
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To obtain this energy an atomic CAS MCSCF state average calculation (5d orbitals, 3 electrons) was performed.
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0005867244
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Cr basis sets were (14s,11p,6d,3f)/[8s,6p4d,1f].
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