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 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 Subject(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. Issue Date: 26-Jun-20 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/107593 Date Available in IDEALS: 2020-06-26
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