A test of the spin-orbit sum rule for actinides using an ab-initio calculation
| dc.creator | Komelj, Matej | |
| dc.date | 2004-06-18 | |
| dc.date.accessioned | 2026-07-07T02:58:42Z | |
| dc.date.available | 2026-07-07T02:58:42Z | |
| dc.description | The expectation value of the angular part of the spin-orbit-coupling (SOC) operator $<l\cdot s>$ and the branching ratio for the $N_{4,5}$ X-ray-absorption spectroscopy in $δ$-Pu, $α$-U and face-centered-cubic (fcc) Th are calculated within the framework of the density-functional theory in combination with the local-spin-density approximation (LSDA), the generalized-gradient approximation (GGA) and the LDA+$U$ method. The SOC contribution is calculated in terms of the first- and the second- variational schemes. A strong variation in the magnitudes of the calculated $<l\cdot s>$ operator along the actinide series is found. The results show that the SOC sum rule for $δ$-Pu and $α$-U is reasonably valid, whereas there is a sign mismatch for the case of fcc Th. The calculated branching ratios for the case without SOC in the valence shell strongly deviate from the statistical value. | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0406433 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0406433 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/24212 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.title | A test of the spin-orbit sum rule for actinides using an ab-initio calculation | |
| dc.type | text |