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Title:Reconstruction Of Term Diagrams Without Using A Model Hamiltonian
Author(s):Brackertz, Stefan
Contributor(s):Schlemmer, Stephan; Asvany, Oskar; Kristkeitz, Sven
Subject(s):Theory and Computation
Abstract:The fundamental Ritz combination principle [1] originally found for atoms has also been applied to molecules as a method to reconstruct the energy states from measured lines without relying on any model Hamiltonian. In 2006 Nesbitt and coworkers [2] proposed to apply it to protonated methane, CH$_5^+$, which was first done in 2015 [3] and extended in 2017 [4] by our group. Currently, we are elaborating this method to a universal, easy to use tool which can be used for arbitrary spectra. Essentials of the program and examples, including the floppy He-H$_3^+$ system, will be discussed. % \newline\newline [1] W. Ritz, On a new law of series spectra, Astrophys. J. 28 (1908), p. 237. \newline [2] C. Savage, F. Dong, D.J. Nesbitt, Toward a quantum-mechanical understanding of the high-resolution infrared spectrum of CH$_5^+$, in: Contribution TA05, 61st International Symposium on Molecular Spectroscopy, Columbus, OH, USA, 2006.\newline [3] Oskar Asvany, Koichi M. T. Yamada, Sandra Brünken, Alexey Potapov, Stephan Schlemmer. Experimental ground-state combination differences of CH$_5^+$. Science, 347 (2015), pp. 1346-1349.\newline [4] S. Brackertz, S. Schlemmer, O. Asvany, Searching for new symmetry species of CH$_5^+$ – From lines to states without a model, J. Mol. Spectrosc. 342 (2017), p. 73-82.\newline
Issue Date:2021-06-23
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/111428
Date Available in IDEALS:2021-09-24


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