Relativistic unitary coupled cluster theory and applications
Abstract
We present the first formulation and application of relativistic unitary coupled cluster theory to atomic properties. The remarkable features of this theory are highlighted, and it is used to calculate the lifetimes of 52D3/2 and 62P3/2 states of Ba+ and Pb+ respectively. The results clearly suggest that it is very well suited for accurate ab initio calculations of properties of heavy atomic systems.
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