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

Journal Article · Tue Jan 21 00:00:00 EST 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4861897· OSTI ID:22255272

Woolley, R. Guy ^[1]

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1. School of Science and Technology, Nottingham Trent University, Nottingham NG11 8NS (United Kingdom)

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.

• OSTI ID: 22255272
• Journal Information: Journal of Chemical Physics, Vol. 140, Issue 3; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
97 MATHEMATICAL METHODS AND COMPUTING
BORN-OPPENHEIMER APPROXIMATION
EQUATIONS
FUNCTIONS
SPECTRA