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• W8558313 abstract "Various methods for representation of electronic states in diatomic molecules basing on experimental spectroscopic data are critically compared. The technique of pointwise inverted perturbation approach (IPA) is indicated as the most suitable in case of states characterized by potential energy curves substantially different from the Morse potential. Recent developments of this technique are presented. Our understanding of the energy structure of diatomic molecules is based on the Born-Oppenheimer approximation which takes advantage of the large disparity between the electron and nuclear masses in order to separate the electronic and nuclear coordinates. The motion of heavy nuclei can be assumed as slow compared with that of light and consequently very mobile electrons. The electronic wave functions adjust instantaneously to the positions of the nuclei and determine the potential well in which the nuclei vibrate. For separate electronic configurations diabatic potential energy curves governing the motion of the nuclei are thus obtained. However, the diabatic curves can intersect whenever potential energies associated with two different electronic configurations become equal for a given internuclear distance. Depending on the strength of the coupling between the two electronic configurations, the molecule passing through the crossing region may either remain in the original electronic state or jump to the other configuration. In the latter case the coupling can be taken into account by constructing the adiabatic potential energy curves, which change from one electronic configuration to the other along the crossing. The shape" @default.
• W8558313 created "2016-06-24" @default.
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• W8558313 date "2006-01-01" @default.
• W8558313 modified "2023-10-18" @default.
• W8558313 title "Exotic states of diatomic molecules and methods of their description" @default.
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