4.7 Article

Relativistic coupled cluster calculations of the energies for rubidium and cesium atoms

Journal

JOURNAL OF CHEMICAL PHYSICS
Volume 119, Issue 20, Pages 10633-10637

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.1621616

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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. (C) 2003 American Institute of Physics.

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