Convergence of vibrational angular momentum terms within the Watson Hamiltonian

Convergence of vibrational angular momentum terms within the Watson Hamiltonian

Vibrational angular momentum terms within the Watson Hamiltonian are often considered negligible or are approximated by the zeroth order term of an expansion of the inverse of the effective moment of inertia tensor. A multimode expansion of this tensor up to second order has been used to study the i...

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Veröffentlicht in:The Journal of chemical physics 2011-02, Vol.134 (6), p.064105-064105-8
Hauptverfasser: Neff, Michael, Hrenar, Tomica, Oschetzki, Dominik, Rauhut, Guntram
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container_issue 6
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container_title The Journal of chemical physics
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creator Neff, Michael
Hrenar, Tomica
Oschetzki, Dominik
Rauhut, Guntram
description Vibrational angular momentum terms within the Watson Hamiltonian are often considered negligible or are approximated by the zeroth order term of an expansion of the inverse of the effective moment of inertia tensor. A multimode expansion of this tensor up to second order has been used to study the impact of first and second order terms on the vibrational transitions of N 2 H 2 and HBeH 2 BeH. Comparison with experimental data is provided. The expansion of the tensor can be exploited to introduce efficient prescreening techniques.
doi_str_mv 10.1063/1.3551513
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title Convergence of vibrational angular momentum terms within the Watson Hamiltonian
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