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Title: Ionization potential and excitation energy calculations for Ba+ using the relativistic coupled-cluster method
Authors: Gopakumar, G
Merlitz, H
Majumder, S
Chaudhuri, R. K
Das, B. P
Mahapatra, U. S
Mukherjee, D
Keywords: Relativistic;Coupled Cluster;Ionization Potentials;Excitation Energies
Issue Date: Sep-2001
Publisher: The American Physical Society
Citation: Physical Review A, Vol. 64, No. 3, pp. 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.
ISSN: 1050-2947
Appears in Collections:IIAP Publications

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