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

• URL: http://arxiv.org/abs/2506.23879v2
• Date: Sun, 27 Jul 2025 09:05:57 GMT
• Title: 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
• Authors: Balázs Rácsai, Péter Jeszenszki, Ádám Margócsy, Edit Mátyus,
• Abstract summary: Relativistic, quantum electrodynamics are computed for the b $3Pi_mathrmg$ and c $3Sigma_mathrmg+$ electronic states of the helium dimer.<n>The quantum nuclear motion is computed over the b $3Pi_mathrmg$-c $3Sigma_mathrmg+$.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• 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.

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