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  An accurate semi-empirical potential model for the a  3Σu + state of the alkali dimers Na2, K2, Rb2, and Cs2 which reproduces the scattering length

Bauer, J. B., & Toennies, J. P. (2019). An accurate semi-empirical potential model for the a  3Σu + state of the alkali dimers Na2, K2, Rb2, and Cs2 which reproduces the scattering length. The Journal of Chemical Physics, 150(14): 144310. doi:10.1063/1.5083116.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0003-711C-F Version Permalink: http://hdl.handle.net/21.11116/0000-0003-7FBE-A
Genre: Journal Article

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 Creators:
Bauer, Jurek B.1, Author              
Toennies, Jan Peter1, Author              
Affiliations:
1Emeritus Group Molecular Interactions, Max Planck Institute for Dynamics and Self-Organization, Max Planck Society, ou_2063297              

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 Abstract: A new four parameter Tang-Toennies type potential model is described for the a  3Σu + triplet state of the alkali dimers Na2, K2, Rb2, and Cs2. Compared to an earlier three parameter semi-empirical model based on the experimental well depth, De, well location, Re, and the harmonic vibrational frequency, ωe [Lau et al., J. Chem. Phys. 145, 194308 (2016)], the new model is also adjusted to be consistent with the scattering length. The results are shown to have a similar good agreement with the spectroscopic term values as the earlier model with the advantage that the scattering length is properly described. The deviations from recent potentials for Cs2 are discussed.

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Language(s): eng - English
 Dates: 2019-04-12
 Publication Status: Published online
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 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1063/1.5083116
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Title: The Journal of Chemical Physics
Source Genre: Journal
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Pages: 6 Volume / Issue: 150 (14) Sequence Number: 144310 Start / End Page: - Identifier: -