Relativistic unitary coupled cluster theory and applications

2005/02/08 by Chiranjib Sur, Sur, Chiranjib, Rajat K Chaudhuri +7 · 1 citation
Physics and Astronomy · #Atomic Physics (physics.atom-ph) #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #physics.atom-ph #physics.chem-ph #physics.comp-ph

paper · pdf · doi:10.48550/arxiv.physics/0502033

Revtex, 4 EPS figures

arxiv created 2005/02/08 · arxiv updated 2009/12/01

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 5²D_3/2 and 6²P_3/2 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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