分子水素の回転振動スペクトルにおける量子電磁力学効果の理論計算
Dissociation energies from all rovibrational levels of H2 and D2 in the ground electronic state were computed at high precision by incorporating relativistic corrections and quantum electrodynamic (QED) effects into a nonadiabatic framework for nuclear motion. Theoretical uncertainties reached 0.001 cm⁻¹ for D2 and similarly low values for the lowest H2 levels, rising to 0.005 cm⁻¹ for higher levels. Computed values showed strong agreement with high-resolution experimental measurements of v=0 rotational levels of H2, including states with large angular momentum quantum number J. This agreement is interpreted as the first spectroscopic observation of QED contributions—primarily electron self-energy—in a molecular system. Discrepancies persisting for certain electric quadrupole transitions remain unresolved.
Relativistic and QED corrections, particularly electron self-energy, were incorporated into nonadiabatic nuclear motion calculations, enabling high-accuracy reproduction of rovibrational dissociation energies in H2 and D2.
The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).
See also:
https://h2-papers.org/en/papers/26598154