Singularity of cr: Nd orbital (anti-)collapse

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It is discovered and demonstrated for the hist time that free ground Cr is singular in being the only 3d metal atom which develops dramatic orbital (anti-)collapse of its excited nd (3p -t nd, it ^ 3) orbitals. Tbis finding is suspected to be a direct consequence of (he well known fundamental irregularity in the filling of the 3d and 4s orbitals of the Cr ground-state configuration, it is also revealed that preliminary removing or excitation of the outermost 4s electron from the ground state of Cr conceals the orbital (and-)collapse of the subsequent nd excited orbitals. AH the results obtained are the first evidences for rather a delicate balance of the intra-potential of Cr for the whole nd states. The calculations are performed in the frame of the spin-polarized Hartrec-Fock approximation. © 1993 IOP Publishing Ltd.

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Journal of Physics B: Atomic, Molecular and Optical Physics

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