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arXiv 1401.0873quant-ph
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关于“分子的量子理论”的评论[J. Chem.Phys. { \bf 137},22 A544(2012)]

Comment on `On the Quantum Theory of Molecules' [J. Chem.Phys. {\bf 137}, 22A544 (2012)]

Brian T Sutcliffe, R Guy Woolley

摘要:

在我们之前的论文[J. Chem.Phys. { \bf 137},22 A544(2012)]中,我们认为玻恩-奥本海默近似不能基于分子薛定谔方程的精确变换。本文认为,玻恩-奥本海默模型近似性的根本原因是缺乏一套完整的电子空间函数,以及需要用谱投影描述连续谱。

英文摘要:

In our previous paper [J. Chem.Phys. {\bf 137}, 22A544 (2012)] we argued that the Born-Oppenheimer approximation could not be based on an exact transformation of the molecular Schrödinger equation. In this Comment we suggest that the fundamental reason for the approximate nature of the Born-Oppenheimer model is the lack of a complete set of functions for the electronic space, and the need to describe the continuous spectrum using spectral projection.

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