Relativistic screened orbital radii.

01 January 1987

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We have computed first-principles atomic nodal radii and Zunger- Cohen radii including relativistic corrections. It is shown that typical relativistic corrections are about 10% for the s-orbitals and about 5% for the p-orbitals for the Au row. These are important for the construction of structure maps with intermetallic compounds. Other applications of orbital radii are proposed and discussed.