Nonadiabatic corrections to rovibrational levels of H 2

The leading nonadiabatic corrections to rovibrational levels of a diatomic molecule are expressed in terms of three functions of internuclear distance: corrections to the adiabatic potential, the effective nuclear mass, and the effective moment of inertia. The resulting radial Schrödinger equation f...

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Bibliographic Details
Published in:The Journal of chemical physics 2009-04, Vol.130 (16), p.164113-164113-11
Main Authors: Pachucki, Krzysztof, Komasa, Jacek
Format: Article
Language:English
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Summary:The leading nonadiabatic corrections to rovibrational levels of a diatomic molecule are expressed in terms of three functions of internuclear distance: corrections to the adiabatic potential, the effective nuclear mass, and the effective moment of inertia. The resulting radial Schrödinger equation for nuclear motion is solved numerically yielding accurate nonadiabatic energies for all rovibrational levels of the H 2 molecule. Results for states with J ≤ 10 are in excellent agreement with previous calculations by Wolniewicz, and for states with J > 10 are new.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.3114680