Relativistic spin-density-functional theory: Robust solution of single-particle equations for open-subshell atoms
نویسندگان
چکیده
We present an approach to the solution of the collinear form of the single-particle equations of relativistic spin-density-functional theory. It is based on the use of appropriate boundary conditions for r→0,` and the identification of ‘‘spin-up’’ and ‘‘spin-down’’ solutions by a node quantum number. A comparison with previous results and a complete set of reference data for atomic ground states is provided.
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