AI Article Synopsis
- A new multireference approach builds on Knowles' recent work to analyze electronic systems with medium correlation levels.
- It uses a framework known as multiconfiguration perturbation theory (MCPT) to enhance the understanding of these systems.
- This method aims to improve the accuracy of studying complex electronic interactions in various chemical and physical contexts.
Article Abstract
A multireference generalization of the partitioning introduced recently by Knowles ( 2022 156, 011101) is presented with the aim to study electronic systems at a medium level of correlation. The multireference formalism applied is the general framework of multiconfiguration perturbation theory (MCPT).
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| http://dx.doi.org/10.1021/acs.jpca.4c04279 | DOI Listing |
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