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Transient Changes in Molecular Geometries and How to Model Them

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Abstract

This work is mostly focused on application, which is why this chapter is intended as a guide for future users, with only a brief theoretical outline of the methods employed in this part of the project.

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Notes

  1. 1.

    Atomic units are still used here, since carrying around \(1/(4\pi \epsilon _0)\) is cumbersome ....

  2. 2.

    Remembering the added technical complexity of short-range smoothening.

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Authors and Affiliations

  1. Department of Chemistry, Technical University of Denmark, Kongens Lyngby, Denmark

    Asmus Ougaard Dohn

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  1. Asmus Ougaard Dohn
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Correspondence to Asmus Ougaard Dohn .

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Dohn, A.O. (2015). Background. In: Transient Changes in Molecular Geometries and How to Model Them. Springer Theses. Springer, Cham. https://doi.org/10.1007/978-3-319-18747-1_5

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