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Knowles Partitioning at the Multi-reference Level

26 August 2024, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

A multi-reference generalization of the partitioning introduced recently by Knowles (J. Chem. Phys. 2022 156, 011101) is presented with the aim to study electronic systems at a medium level of correlation. The multi-reference formalism applied is the general framework of multi-configuration perturbation theory (MCPT).

Keywords

Many-body perturbation theory
Knowles partitioning
Multi-configuration perturbation theory

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Version History

Aug 26, 2024 Version 1

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv-2024-jp0vj
D O I: 10.26434/chemrxiv-2024-jp0vj [opens in a new tab]

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) have declared ethics committee/IRB approval is not relevant to this content

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