Phys. Rev. B 25, 2103–2108 (1982)Relativistic norm-conserving pseudopotentialsReceived 17 August 1981; published in the issue dated 15 February 1982 The simple procedure to extract pseudopotentials from ab initio atomic calculations introduced by Hamann, Schlüter, and Chiang is extended to handle the case of heavy atoms. The solutions of the full core Dirac equation are used as references, following a recent suggestion by Kleinman. As an example, results for the atoms of group IV (C, Si, Ge, Sn, Pb) are presented. © 1982 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.25.2103
DOI:
10.1103/PhysRevB.25.2103
PACS:
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