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Title:Full Dimensional Potentials, Dipole Moment Surfaces And (ro)vibrational Calculations For H5+, H7+ And Hoco
Author(s):Bowman, Joel
Contributor(s):Wang, Yimin; Carter, Stuart
Subject(s):Mini-symposium: Beyond the Mass-to-Charge Ratio: Spectroscopic Probes of the Structures of Ions
Abstract:I will describe progress in the first-principles calculations of ``line-list" ro-vibrational spectra of H$_{5}^{+}$, D$_{5}^{+}$ and HOCO and low-resolution spectrum of H$_{7}^{+}$, along with insights into the internal motions of these species. The calculations make use of full-dimensional ab initio potential and dipole moment surfaces and the code "MULTIMODE".
Issue Date:2014-06-18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Bowman, J.; Wang, Y.; Carter, S. FULL DIMENSIONAL POTENTIALS, DIPOLE MOMENT SURFACES AND (RO)VIBRATIONAL CALCULATIONS FOR H5+, H7+ AND HOCO. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.WG14
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/50796
DOI:10.15278/isms.2014.WG14
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/
Date Available in IDEALS:2014-09-17
2015-04-14


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