Gerade-ungerade mixing in the hydrogen molecule

Journal Article · Fri Apr 15 04:00:00 EDT 2011 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.83.042510· OSTI ID:21544617

Pachucki, Krzysztof ^[1]; Komasa, Jacek ^[2]

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1. Faculty of Physics, University of Warsaw, Hoza 69, PL-00-681 Warsaw (Poland)
2. Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, PL-60-780 Poznan (Poland)

In homonuclear molecules, such as H{sub 2}, the rovibrational levels close to the dissociation threshold do not have definite symmetry with respect to the inversion of electronic variables. This effect--the gerade-ungerade mixing--results from interactions between magnetic moments of electrons and protons. We calculate this mixing on the level of adiabatic approximation and numerically solve the system of nuclear differential equations. It turns out that the corrections to the dissociation energy of rovibrational levels resulting from the mixing are negligible in comparison with the present accuracy of experiments. As a coproduct, an accurate clamped nuclei potential for the b {sup 3{Sigma}}{sub u}{sup +} state has been obtained.

• OSTI ID: 21544617
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 4 Vol. 83; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ACCURACY
ADIABATIC APPROXIMATION
APPROXIMATIONS
BARYONS
CALCULATION METHODS
COMPARATIVE EVALUATIONS
CORRECTIONS
DATA
DIFFERENTIAL EQUATIONS
DISSOCIATION
DISSOCIATION ENERGY
ELECTRONS
ELEMENTARY PARTICLES
ELEMENTS
ENERGY
EQUATIONS
EVALUATION
EXPERIMENTAL DATA
FERMIONS
HADRONS
HYDROGEN
INFORMATION
LEPTONS
MAGNETIC MOMENTS
MOLECULES
NONMETALS
NUCLEAR POTENTIAL
NUCLEONS
NUMERICAL DATA
POTENTIALS
PROTONS
SYMMETRY