水素分子イオンの電子励起状態における電荷移動：Eyring・Walter・Kimball 1944年モデルの解析
In 1944, Eyring, Walter, and Kimball (EWK) inadvertently identified charge migration (CM) in a variational study of the H₂⁺ electronic structure. When the electron is initialized as a superposition of the ground and first excited eigenstates—effectively localizing it near one proton—the electronic probability density (EPD) shows periodic oscillation between the two fixed protons with a period of 550.9 attoseconds at equilibrium internuclear separation. The present work derives an analytic expression for the electronic flux density (EFD) from the EWK model, revealing the spatial pathways traversed by the electron during migration. The EFD formula separates into independent time and spatial factors, exposing a rich set of spatiotemporal symmetry relations with unexpected consequences. Crucially, unlike multielectron systems where electron correlation can contribute to CM, the EWK H₂⁺ model demonstrates that CM arises exclusively from quantum interference between the two electronic eigenstates.
Charge migration in the H₂⁺ EWK model results purely from quantum interference between the ground and first excited electronic eigenstates, producing adiabatic electron oscillation between the two protons with a period of 550.9 attoseconds; electron correlation plays no role.
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/28633524