| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382224 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
⺠Energy decomposition analysis of lanthanide and actinide monoaqua systems. ⺠Open-shell and closed-shell complexes. ⺠Comparison of large f-in-core or small core quasi relativistic pseudopotentials. ⺠Computation of the unpaired electrons contribution to the polarization energy component.
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Authors
A. Marjolin, C. Gourlaouen, C. Clavaguéra, J.-P. Dognon, J.-P. Piquemal,