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Ionization potential and excitation energy calculations forBa+using the relativistic coupled-cluster method
- Source :
- Physical Review A. 64
- Publication Year :
- 2001
- Publisher :
- American Physical Society (APS), 2001.
-
Abstract
- We report the results of our relativistic coupled cluster singles, doubles, and partial triples calculations of the ionization potentials (IP) and excitation energies (EE) for different low-lying levels of ${\mathrm{Ba}}^{+}$. The accuracies of the IP's and EE's are approximately 0.2% and 1%, respectively. The inclusion of the triple excitations were crucial to achieve this degree of precision.
Details
- ISSN :
- 10941622 and 10502947
- Volume :
- 64
- Database :
- OpenAIRE
- Journal :
- Physical Review A
- Accession number :
- edsair.doi...........b318abc33ad8ef513301481a3ae47bda
- Full Text :
- https://doi.org/10.1103/physreva.64.032502