Relativistic screened orbital radii
- 15 October 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 36 (11) , 5861-5867
- https://doi.org/10.1103/physrevb.36.5861
Abstract
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.Keywords
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