Article ID Journal Published Year Pages File Type
5416155 Journal of Molecular Spectroscopy 2006 9 Pages PDF
Abstract
Nonadiabatic coupling matrix elements are computed for six lowest 1Σu+ and four lowest 1Πu electronic states of H2 in a wide range of internuclear distances. These matrix elements are used together with the adiabatic potentials to determine the bound ro-vibrational levels of the 10 electronic states for rotational quantum numbers J ⩽ 10. The computed energies agree quite well with existing experimental term values. However, some of the experimental levels should be assigned differently.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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