A note on perturbation-adapted perturbation theory

Author:

Surján Péter R.1ORCID,Kőhalmi Dóra1ORCID,Szabados Ágnes1ORCID

Affiliation:

1. Laboratory of Theoretical Chemistry, Institute of Chemistry, Faculty of Science, ELTE Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112, Hungary

Abstract

The partitioning introduced recently by Knowles [J. Chem. Phys. 156, 011101 (2022)] is analyzed and its connections with the Adams partitioning and the Davidson–Kapuy partitioning are discussed. Davidson’s partitioning is reformulated using the second quantized formalism. A relation is pointed out between the Knowles condition for the many-body perturbation theory zero order Hamiltonian and the CEPA0 equations.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference35 articles.

1. Many – Body Methods in Chemistry and Physics

2. Note on an Approximation Treatment for Many-Electron Systems

3. P. R. Surján and Á. Szabados, in Fundamental World of Quantum Chemistry: A Tribute to the Memory of Per-Olov Löwdin, edited by E. J. Brändas and E. S. Kryachko (Kluwer, Dordrecht, 2004), Vol. III, pp. 129–185.

4. Molecular Electronic-Structure Theory

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