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Ab initio in-medium similarity renormalization group for open-shell atomic systems

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arxiv 2212.08188 v1 pith:XF2NVAE7 submitted 2022-12-15 physics.atom-ph nucl-exnucl-th

Ab initio in-medium similarity renormalization group for open-shell atomic systems

classification physics.atom-ph nucl-exnucl-th
keywords systemsatomiccalculationsinitioopen-shellenergiesgroupin-medium
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Precise theoretical calculations of open-shell atomic systems are critical for extracting fundamental physics parameters from precision experiments. Here we present proof-of-principle calculations illustrating the effectiveness of the valence-space formulation of the ab initio in-medium similarity renormalization group, widely used in nuclear theory, as a new ab initio method for atomic systems. We adapt this approach to study properties of closed- and open-shell many-electron systems from helium to calcium. Ground-state energies, excitation spectra, and ionization energies are obtained for selected atoms, and reasonable agreement is found with benchmark coupled-cluster and many-body perturbation theory calculations, where available.

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