Ionization potential and excitation energy calculations for Ba+ using the relativistic coupled-cluster method

Geetha Gopakumar, Holger Merlitz, Sonjoy Majumder, Rajat K. Chaudhuri, B. P. Das, Uttam Sinha Mahapatra, and Debashis Mukherjee
Phys. Rev. A 64, 032502 – Published 13 August 2001
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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.

  • Received 3 March 2001

DOI:https://doi.org/10.1103/PhysRevA.64.032502

©2001 American Physical Society

Authors & Affiliations

Geetha Gopakumar, Holger Merlitz, Sonjoy Majumder, Rajat K. Chaudhuri, and B. P. Das

  • Non-Accelerator Particle Physics Group, Indian Institute of Astrophysics, Bangalore 560 034, India

Uttam Sinha Mahapatra and Debashis Mukherjee

  • Indian Association for Cultivation of Science, Calcutta 700 032, India

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Vol. 64, Iss. 3 — September 2001

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