2017/12/31 by Eric Ouma Jobunga, E. O. Jobunga
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Atom (system on chip) #Atomic and Molecular Physics #Atomic physics #Electron #Ion #Ionization #Momentum (technical analysis) #Open shell #Physics #Quantum mechanics #Relativistic quantum chemistry #Symmetry (geometry) #quant-ph
paper · pdf · doi:10.1098/rsos.211779
arXiv admin note: substantial text overlap with arXiv:1711.07645
arxiv created 2021/11/04 · openalex publication_date 2022/03/01 · arxiv updated 2022/03/24 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/31
Electron-electron interactions and correlations form the basis of difficulties encountered in the theoretical solution of problems dealing with multi-electron systems. Accurate treatment of the electron-electron problem is likely to unravel some nice physical properties of matter embedded in the interaction. In an effort to tackle this many-body problem, a symmetry-dependent all electron potential generalised for an n-electron atom is suggested in this study. The symmetry dependence in the proposed potential hinges on an empirically determined angular momentum dependent partitioning fraction for the electron-electron interaction. With the potential, all atoms are treated in the same way regardless of whether they are open- or closed-shell using their system specific information. The non-relativistic groundstate ionisation potentials for atoms with up to 103 electrons generated using the all-electron potential are in reasonable agreement with the existing experimental and theoretical data. The effects of higher-order non-relativistic interactions as well as the finite nuclear mass of the atoms are also analysed.