Stability analysis of a double similarity transformed coupled cluster theory

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{ö}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.

The main manuscript file contains 8 pages and 6 figures