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arXiv · 1401.0873

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

Brian T Sutcliffe·R Guy Woolley
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Abstract

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 Schr\"{o}dinger 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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Brian T Sutcliffe, R Guy Woolley. 2014-01-05. Comment on `On the Quantum Theory of Molecules' [J. Chem.Phys. {\bf 137}, 22A544 (2012)]. https://doi.org/10.1063/1.4861897

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