2022/12/15 by G. Tenkila, V. Chand, Tenkila, G. +12
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic Physics (physics.atom-ph) #FOS: Physical sciences #Inorganic Fluorides and Related Compounds #Nuclear Experiment (nucl-ex) #Nuclear Theory (nucl-th) #Quantum, superfluid, helium dynamics #nucl-ex #nucl-th #physics.atom-ph
paper · pdf · doi:10.48550/arxiv.2212.08188
6 pages, 8 figures
arxiv created 2022/12/15 · openalex publication_date 2022/12/15 · arxiv updated 2022/12/19 · openalex created_date 2023/01/03 · openalex updated_date 2026/07/28
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.