Stability analysis of a double similarity transformed coupled cluster theory
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 universa...
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Veröffentlicht in: | The Journal of chemical physics 2020-08, Vol.153 (8), p.084113-084113 |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | 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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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/5.0018383 |