Stability analysis of a double similarity transformed coupled cluster theory

Valay Agarawal; Anish Chakraborty; Rahul Maitra

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arXiv · 2006.13691

Stability analysis of a double similarity transformed coupled cluster theory

Valay Agarawal·Anish Chakraborty·Rahul Maitra

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Abstract

In this paper, we have analysed the time series associated with the iterative scheme of a double similarity transformed Coupled Cluster theory. The coupled iterative scheme to solve the ground state Schr{\"o}dinger equation is cast as a multivariate time-discrete map, the solutions show the universal Feigenbaum dynamics. Using recurrence analysis, it is shown that the dynamics of the iterative process is dictated by a small subgroup of cluster operators, mostly those involving chemically active orbitals, whereas all other cluster operators with smaller amplitudes are enslaved. Using Synergetics, we will indicate how the master-slave dynamics can suitably be exploited to develop a novel coupled-cluster algorithm in a much-reduced dimension.

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Valay Agarawal, Anish Chakraborty, Rahul Maitra. 2020-06-13. Stability analysis of a double similarity transformed coupled cluster theory. https://arxiv.org/abs/2006.13691

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