研究目的
Investigating the nonadiabatic relativistic correction to rovibrational energy levels of H2, D2, and HD molecules.
研究成果
The study successfully applies nonadiabatic perturbation theory to calculate relativistic corrections for H2, D2, and HD molecules, resolving discrepancies between theoretical predictions and experimental results. The method's advantage lies in its ability to use a single effective potential for all rovibrational states across isotopes.
研究不足
The study acknowledges the challenge of accurately solving the molecular Schr?dinger equation due to inherent electron correlation, relativistic, quantum electrodynamic, and nonadiabatic effects. The precision level is sensitive to uncertainties in fundamental physical constants.
1:Experimental Design and Method Selection:
The study employs nonadiabatic perturbation theory (NAPT) to calculate corrections to rovibrational energy levels. The methodology involves the use of a single effective potential for all molecular levels.
2:Sample Selection and Data Sources:
The study focuses on H2, D2, and HD molecules, utilizing their rovibrational energy levels for analysis.
3:List of Experimental Equipment and Materials:
The study is theoretical and does not specify physical equipment or materials.
4:Experimental Procedures and Operational Workflow:
The workflow involves the application of NAPT to derive corrections, followed by comparison with experimental data to validate the theoretical predictions.
5:Data Analysis Methods:
The analysis includes numerical calculations and interpolation techniques to estimate corrections and their uncertainties.
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