Rovibrational computations for He₂⁺ X~Σ_u⁺ including non-adiabatic, relativistic and QED corrections

2025/06/23 by Mátyus, Edit, Margócsy, Ádám · 3 citations
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences

paper · doi:10.48550/arxiv.2506.19120

Abstract

We report the potential energy curve, the diagonal Born-Oppenheimer, non-adiabatic mass, relativistic, and leading-order QED corrections for the ground electronic state of the helium dimer cation; the higher-order QED and finite-nuclear size effects are also estimated. The computations are carried out with an improved error control and over a much broader configuration range compared to earlier work [D. Ferenc, V. I. Korobov, and E. Mátyus, Phys. Rev. Lett. 125, 213001 (2020)]. As a result, all rovibrational bound states are reported with an estimated accuracy of 0.005 cm^-1.

Citations

• Characterization of the electronic ground state of He₂⁺ by high-resolution photoelectron spectroscopy
• Spin-dependent terms of the Breit-Pauli Hamiltonian evaluated with an explicitly correlated Gaussian basis set for molecular computations

Cited by

• High-Precision Quantum Dynamics of He₂ over the b ³Π_g-c ³Σ_g⁺ Electronic Subspace by including Non-adiabatic, Relativistic and QED Corrections and Couplings
• Rovibrational computations for the He₂ a ³Σ_u⁺ state including non-adiabatic, relativistic, and QED corrections
• Spin-dependent terms of the Breit-Pauli Hamiltonian evaluated with an explicitly correlated Gaussian basis set for molecular computations

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• Rovibrational computations for the He₂ a ³Σ_u⁺ state including non-adiabatic, relativistic, and QED corrections
• High-Precision Quantum Dynamics of He₂ over the b ³Π_g-c ³Σ_g⁺ Electronic Subspace by including Non-adiabatic, Relativistic and QED Corrections and Couplings
• Precision Spectroscopy of the Fine Structure in the \boldsymbola ³Σ_u⁺(v=0) and \boldsymbolc ³Σ_g⁺(v=4) States of the Helium Dimer
• Characterization of the electronic ground state of He₂⁺ by high-resolution photoelectron spectroscopy
• Spin-dependent terms of the Breit-Pauli Hamiltonian evaluated with an explicitly correlated Gaussian basis set for molecular computations