Abstract
Refined variational calculations of the first- and second-order hyperfine interaction coefficients d1 and d2 have been performed for the hydrogen-molecule-ion. The electronic matrix elements were carefully stabilized for each coefficient separately and the vibration-rotation wavefunctions calculated from a nuclear potential which yields correct dissociation limits. The resulting values are in good agreement with earlier theoretical and experimental determinations for the N = 2 nuclear rotational levels, and are in impressive agreement with measurements of the N = 1 rotational levels.
| Original language | English |
|---|---|
| Pages (from-to) | 374-378 |
| Number of pages | 5 |
| Journal | Chemical Physics Letters |
| Volume | 49 |
| Issue number | 2 |
| DOIs | |
| State | Published - 15 Jul 1977 |
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