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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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