High-Precision Quantum Dynamics of He$_2$ over the b $^3Π_\mathrm{g}$-c $^3Σ_\mathrm{g}^+$ Electronic Subspace by including Non-adiabatic, Relativistic and QED Corrections and Couplings
Balázs Rácsai, Péter Jeszenszki, Ádám Margócsy, Edit Mátyus
公開日: 2025/6/30
Abstract
Relativistic, quantum electrodynamics, as well as non-adiabatic corrections and couplings, are computed for the b $^3\Pi_\mathrm{g}$ and c $^3\Sigma_\mathrm{g}^+$ electronic states of the helium dimer. The underlying Born-Oppenheimer potential energy curves are converged to 1 ppm ($1:10^6$) relative precision using a variational explicitly correlated Gaussian approach. The quantum nuclear motion is computed over the b $^3\Pi_\mathrm{g}$-c $^3\Sigma_\mathrm{g}^+$ (and B $^1\Pi_\mathrm{g}$-C $^1\Sigma_\mathrm{g}^+$) 9-(12-)dimensional electronic-spin subspace coupled by non-adiabatic and relativistic (magnetic) interactions. The electron's anomalous magnetic moment is also included; its effect is expected to be visible in high-resolution experiments. The computed rovibronic energy intervals are in excellent agreement with available high-resolution spectroscopy data, including the rovibronic b $^3\Pi_\mathrm{g}$-state fine structure. Fine-structure splittings are also predicted for the c $^3\Sigma_\mathrm{g}^+$ levels, which have not been fully resolved experimentally, yet.