Gopakumar, Geetha ; Merlitz, Holger ; Majumder, Sonjoy ; Chaudhuri, Rajat K. ; Das, B. P. ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis (2001) Ionization potential and excitation energy calculations for Ba+ using relativistic coupled-cluster method Physical Review A, 64 (3). 032502_1-032502_5. ISSN 1050-2947
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Official URL: http://link.aps.org/doi/10.1103/PhysRevA.64.032502
Related URL: http://dx.doi.org/10.1103/PhysRevA.64.032502
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 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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Physical Society. |
| ID Code: | 21863 |
| Deposited On: | 23 Nov 2010 13:05 |
| Last Modified: | 05 Mar 2011 11:55 |
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