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Title: The NO(X²II) –Ne complex. II. investigation of the lower bound states based on new potential energy surfaces
Authors: Alexander, Millard H.
Soldán, Pavel
Wright, Timothy G.
Kim, Yangsoo
Meyer, Henning
Dagdigian, Paul J.
Lee, Edmond P. F.
Subjects: Nitrogen compounds
Bound states
Potential energy surfaces
Vibrational states
Issue Date: 1-Apr-2001
Publisher: American Institute of Physics
Source: Journal of chemical physics, 1 Apr. 2001, v. 114, no. 13, p. 5588-5597.
Abstract: High-quality ab initio potential energy surfaces were calculated and subsequently used to predict the positions of the lowest bend-stretch vibrational states of the NO(X²II,v=0)–Ne complex. The vibrational wavefunctions and basis set expansion coefficients, determined within the adiabatic bender model, were then used to simulate the observed spectrum for excitation of the NO(X²II, v=2)–Ne complex. The overall position and rotational substructure matches well the experimental results for this system, which are presented in the preceding article [Y. Kim, J. Fleniken and H. Meyer, J. Chem. Phys. 114, 5577 (2001)]. A heuristic Hamiltonian, which includes the most important couplings and splittings, is used to improve the fit to experiment.
Rights: © 2001 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in M. H. Alexander et al., J. Chem. Phys. 114, 5588 (2001) and may be found at
Type: Journal/Magazine Article
DOI: 10.1063/1.1349086
ISSN: 1089-7690 (online)
0021-9606 (print)
Appears in Collections:ABCT Journal/Magazine Articles

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