| Autor: |
Malika Denis, Morten S Nørby, Hans Jørgen Aa Jensen, André Severo Pereira Gomes, Malaya K Nayak, Stefan Knecht, Timo Fleig |
| Jazyk: |
angličtina |
| Rok vydání: |
2015 |
| Předmět: |
|
| Zdroj: |
New Journal of Physics, Vol 17, Iss 4, p 043005 (2015) |
| Druh dokumentu: |
article |
| ISSN: |
1367-2630 |
| DOI: |
10.1088/1367-2630/17/4/043005 |
| Popis: |
The low-lying electronic states of ThF ^+ , a possible candidate in the search for $\mathcal{P}$ - and $\mathcal{T}$ -violation, have been studied using high-level correlated relativistic ab initio multi-reference coupled-cluster and configuration interaction approaches. For the $^{3}\Delta $ state component with Ω = 1 (electron electric dipole moment ‘science state’) we obtain an effective electric field of ${{E}_{{\rm eff}}}=35.2$ ${\rm GV}\;{\rm c}{{{\rm m}}^{-1}}$ , a $\mathcal{P}$ - and $\mathcal{T}$ -odd electron–nucleon interaction constant of ${{W}_{P,T}}=48.4$ kHz, a magnetic hyperfine interaction constant of ${{A}_{\parallel }}=1833$ MHz for ^229 Th ( $I=5/2$ ), and a very large molecular dipole moment of 4.03 D. The Ω = 1 state is found to be more than 300 cm ^−1 lower in energy than $\Omega ={{0}^{+}}$ ( $^{1}{{\Sigma }^{+}}$ ), challenging the state assignment from an earlier theoretical study on this species (Barker et al 2012 J. Chem. Phys. http://dx.doi.org/10.1063/1.3691301 136 http://dx.doi.org/10.1063/1.3691301 |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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