Variational approach to the calculation of the structure and properties of H3/+/ ions in strong magnetic fields

Physics – General Physics

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Hydronium Ions, Magnetic Flux, Molecular Structure, Variational Principles, Wave Functions, Electron Transitions, Ground State, Vibrational Spectra

Scientific paper

The structure and properties of H3(+) ions in magnetic fields of the order of (1 to 10) billion G have been studied by means of a variational method. It is found that there is a rapid change in the configuration of the H3(+) ion from its equilateral triangular structure to a linear chain around a magnetic-field intensity of 2.35 billion G (referred to as Bc). The exchange contribution increases with the magnetic field, and its effect on Bc is to lower its value. The vibrational frequencies of H3(+) about its ground-state structure increase with field strength and undergo a rapid change near Bc. The oscillator strengths for the electronic transition stay nearly constant at magnetic-field strengths in the range from zero to 47 billion G.

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