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The Idea of a Potential Energy Surface

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Potential Energy Surfaces

Part of the book series: Lecture Notes in Chemistry ((LNC,volume 71))

Abstract

The idea that the proper way to treat molecules in quantum mechanics is to try to separate the electronic and nuclear motions as far as possible, dates from the very earliest days of the subject. The genesis of the idea is usually attributed to Born and Oppenheimer [1], but it is an idea that was in the air at the time, for the earliest papers in which the idea is used, predate the publication of their paper. The physical picture that informs the attempted separation is one well known and widely used even in classical mechanics, namely division of the problem into a set of rapidly moving particles, here electrons and a much more slowly moving set, here the nuclei. Experience is that it is wise to try and separate such incommensurate motions both to calculate efficiently and to get a useful physical picture.

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Author information

Authors and Affiliations

  1. Deparment of Chemistry, University of York, York, YO1 5DD, England

    Brian T. Sutcliffe

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  1. Brian T. Sutcliffe
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Editor information

Editors and Affiliations

  1. Institute of Theoretical Chemistry, Karl-Franzens-Universität Graz, Strassoldogasse 10, A-8010, Graz, Austria

    Alexander F. Sax

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© 1999 Springer-Verlag Berlin Heidelberg

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Sutcliffe, B.T. (1999). The Idea of a Potential Energy Surface. In: Sax, A.F. (eds) Potential Energy Surfaces. Lecture Notes in Chemistry, vol 71. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-46879-7_2

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  • DOI: https://doi.org/10.1007/978-3-642-46879-7_2

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-65106-2

  • Online ISBN: 978-3-642-46879-7

  • eBook Packages: Springer Book Archive

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