2008/11/30 by Krzysztof Pachucki, Jacek Komasa, Krzysztof Kozłowski
Economics, Econometrics and Finance · Physics and Astronomy · Social Sciences · #Adiabatic process #Advanced Chemical Physics Studies #Atomic and Molecular Physics #Atomic physics #Classical mechanics #Computer science #Diatomic molecule #Economic and Fiscal Studies #Excited state #Local Governance and Planning #Molecule #Moment (physics) #Moment of inertia #Physics #Polish Law and Legal System #Quantum mechanics #Rotational–vibrational spectroscopy #Scientific Research and Discoveries #physics.chem-ph
paper · pdf · doi:10.1063/1.3114680
14 pages
arxiv created 2009/01/24 · openalex publication_date 2010/12/06 · arxiv updated 2015/05/12 · openalex created_date 2025/10/10 · openalex updated_date 2026/04/28
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.