Structural Properties of Lanthanide and Actinide Compounds within the Plane Wave Pseudopotential Approach
- 11 December 2000
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 85 (24) , 5122-5125
- https://doi.org/10.1103/physrevlett.85.5122
Abstract
We show that plane wave ultrasoft pseudopotential methods readily extend to the calculation of the structural properties of lanthanide and actinide containing compounds. This is demonstrated through a series of calculations performed on UO, , , , , , , CeSe, , , TmOI, LaBi, , YbO, and elemental Lu.
Keywords
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