水素分子励起状態における非断熱質量補正：HH̄ Σ項外側井戸の改善
This theoretical study evaluates the mass-correction function for selected excited states of the hydrogen molecule using a single-state nonadiabatic framework. The qualitative behavior of the correction was examined near the avoided crossing between the EF and GK states, as well as in the outer-well region of the HH̄ state. A negative mass correction was found for vibrational motion near the outer potential minimum of the HH̄ state, and this finding accounts for the majority of the discrepancy previously observed between experimental measurements and earlier theoretical predictions of the term values.
A negative non-adiabatic mass correction computed for vibrational motion near the outer potential minimum of the HH̄ state resolves the discrepancy between experimental term values and prior theoretical calculations.
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/31492075