Work

Knowles Partitioning at the Multireference Level

Year: 2024

Type: article

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).

Source: The Journal of Physical Chemistry A

DOI: 10.1021/acs.jpca.4c04279

Authors: Ágnes Szabados, András Gombás, Péter R. Surján

Institution: Eötvös Loránd University

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W4403334939

FWCI: 0.318

Cites: 103

Cited by: 2

Related to: 10