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Updated: Dec 10, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Stability analysis of a double similarity transformed coupled cluster theory
Valay Agarawal1, Anish Chakraborty1, Rahul Maitra1
1Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.
Abstract:
In this paper, we have analyzed 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 Schrödinger equation is cast as a multivariate time-discrete map, and 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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