Please use this identifier to cite or link to this item: http://hdl.handle.net/2248/3861
Title: Relativistic coupled cluster calculations of the energies for rubidium and cesium atoms
Authors: Chaudhuri, R. K
Sahoo, B. K
Das, B. P
Merlitz, H
Mahapatra, U. S
Mukherjee, D
Keywords: Cesium Atoms;Rubidium;Coupled Cluster
Issue Date: Nov-2003
Publisher: American Institute of Physics
Citation: Journal of Chemical Physics, Vol. 119, No. 20, pp. 10633 - 10637
Abstract: Ionization potentials and excitation energies of rubidium and cesium atoms are computed using the relativistic coupled cluster (CC) method. The effect of electron correlations on the ground and excited state properties is investigated using different levels of CC approximations and truncation schemes. The present work demonstrates that the even-parity channel truncation scheme produces results almost as accurate as obtained from the all-parity channel approximation scheme at a reduced computational cost. The present study also indicates that for a given basis the linearized CC method tends to overestimate the ground and excited state properties compared to the full CC method. ©2003 American Institute of Physics.
URI: http://hdl.handle.net/2248/3861
ISSN: 0021 - 9606
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Appears in Collections:IIAP Publications

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