Published January 21, 2014
| Version v1
Journal article
Comment on "On the quantum theory of molecules" [J. Chem. Phys. 137, 22A544 (2012)]
Creators
- 1. Service de Chimie quantique et Photophysique, Université Libre de Bruxelles, B-1050 Bruxelles (Belgium)
- 2. School of Science and Technology, Nottingham Trent University, Nottingham NG11 8NS (United Kingdom)
Description
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
Additional details
Identifiers
- DOI
- 10.1063/1.4861897;
- arXiv
- arXiv:1401.0873v2;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 140
- Journal Issue
- 3
- Journal Page Range
- p. 037101-037101.2
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 45076466
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; S97: MATHEMATICAL METHODS AND COMPUTING;
- Descriptors DEI
- BORN-OPPENHEIMER APPROXIMATION; EQUATIONS; FUNCTIONS; SPECTRA
- Descriptors DEC
- APPROXIMATIONS; CALCULATION METHODS
Optional Information
- Notes
- (c) 2014 AIP Publishing LLC