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Comment on "on the quantum theory of molecules" [J. Chem. Phys. 137, 22A544 (2012)]

par Sutcliffe, Brian T. ;Woolley, Guy R.G.
Référence The Journal of Chemical Physics, 140, 3, 4861897
Publication Publié, 2014

Article révisé par les pairs

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Résumé :

In our previous paper [B. T. Sutcliffe and R. G. Woolley, J. Chem. Phys. 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. © 2014 AIP Publishing LLC.