科研之友
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摘要
The relativistic correction to the dissociation energy of H-2, D-2, and HD molecules has been accurately calculated without expansion in the small electron-nucleus mass ratio. The obtained results indicate the significance of nonadiabatic effects and resolve the discrepancy of theoretical predictions with recent experimental values for H-2 and D-2. While the theoretical accuracy is now significantly improved and is higher than the experimental one, we observe about 3s discrepancy for the dissociation energy of HD, which requires further investigation.
- 出版日期2018-8-14
