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Title: Core effects on ionization potentials in thallium
Authors: Merlitz, H
Gopakumar, G
Chaudhuri, R. K
Das, B. P
Mahapatra, U. S
Mukherjee, D
Keywords: Ionization Potentials;Relativistic Coupled Cluster
Issue Date: Feb-2001
Publisher: The American Physical Society
Citation: Physical Review A, Vol. 63, No. 2, pp. 022507
Abstract: Ionization potentials (IP's) are evaluated for various excited states of Tl using the relativistic coupled cluster (CCCD) theory in the even-parity pair channel approximation (CCSD-EPC). An average accuracy below half a percent is reached. The effect of deep core electrons on the core-valence correlations is investigated. It is found that electrons in the third subshell (n=3) modify the IP's of the 6p orbitals by 100 cm-1. By comparison with calculations made in the linearized CCSD (LCCSD) approximation it is demonstrated that nonlinear contributions are mandatory to reach an accuracy below half a percent for the 6p1/2 orbital.
ISSN: 1050-2947
Appears in Collections:IIAP Publications

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