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Comment on 'Analysis on Solvated Molecules with a New Energy Partitioning Scheme for Intra- and Intermolecular Interactions'

机译:评论“用分子间和分子间相互作用的新能量分配方案分析溶剂化分子”

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摘要

In the recent paper,Sato and Sakaki proposed a "new energy partitioning scheme" in which the Hartree-Fock energy of a molecule is decomposed into atomic and diatomic components.This scheme is identical with that of Ichikawa and Yoshida and that of mine except for the exchange energy component,which is the "the exact arithmetic average" of the expressions given in these two papers.
机译:Sato和Sakaki在最近的论文中提出了一种“新能量分配方案”,该方案将分子的Hartree-Fock能分解为原子和双原子成分。该方案与Ichikawa和Yoshida以及我的相同。交换能量分量,这是这两篇论文中给出的表达式的“精确算术平均值”。

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