| Literature DB >> 19405567 |
Krzysztof Pachucki1, Jacek Komasa.
Abstract
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 Schrodinger 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 < or = 10 are in excellent agreement with previous calculations by Wolniewicz, and for states with J > 10 are new.Entities:
Year: 2009 PMID: 19405567 DOI: 10.1063/1.3114680
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488