Potential curve of ground state cu2 up to 98% of the dissociation energy

Radi, Peter

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https://hdl.handle.net/2142/107593 Copy

Description

Title

Potential curve of ground state cu2 up to 98% of the dissociation energy

Author(s)

Radi, Peter

Contributor(s)

• Gourlaouen, Christophe
• Marquardt, Roberto
• Knopp, Gregor
• Zhang, Qiang
• Beck, Martin
• Bornhauser, Peter

Issue Date

2020-06-26

Keyword(s)

• Electronic structure
• Potential energy surfaces

Abstract

We report on an experimental and theoretical investigation of the ground electronic potential of dicopper. By taking into account our recent deperturbation study of the high lying energy map,\footnote{Beck, M., P. Bornhauser, Bradley Visser, G. Knopp, J. A. van Bokhoven, and P. P. Radi. Nature Communications, 10(2019)3270} gateway levels are identified that allow access to vibrational levels of the ground state up to $\approx$ 98\% of the dissociation limit. Rotationally resolved two-color resonant four-wave mixing spectra (TC-RFWM) are analyzed by applying the 'near-dissociation expansion' (NDE) introduced by Le Roy.\footnote{Le Roy, Robert J. Journal of Quantitative Spectroscopy and Radiative Transfer, 186(2017)197} In addition to the determination of $D_e$, an accurate potential energy function is obtained to assess the structural and dynamical properties of this important transition metal species. \textit{Ab initio} computations at the multi-reference configuration-interaction level of theory shed further light on the bound characteristics of this diatomic molecule.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/107593

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Copyright 2020 is held by the Author(s)

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