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多参考层面的诺尔斯分区。

IF 2.7 2区 化学 Q3 CHEMISTRY, PHYSICAL
The Journal of Physical Chemistry A Pub Date : 2024-10-11 DOI:10.1021/acs.jpca.4c04279
Ágnes Szabados, András Gombás, Péter R Surján
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引用次数: 0

摘要

本文介绍了诺尔斯（J. Chem. Phys. 2022 156, 011101）最近引入的分区的多参量泛化，旨在研究中等相关水平的电子系统。所应用的多参量形式主义是多构型扰动理论（MCPT）的一般框架。
本文章由计算机程序翻译，如有差异，请以英文原文为准。
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Knowles Partitioning at the Multireference Level.

A multireference 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 multireference formalism applied is the general framework of multiconfiguration perturbation theory (MCPT).

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来源期刊
The Journal of Physical Chemistry A
The Journal of Physical Chemistry A 化学-物理：原子、分子和化学物理
CiteScore
5.20
自引率
10.30%
发文量
922
审稿时长
1.3 months
期刊介绍： The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
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