| Literature DB >> 31776795 |
Abstract
A new approach to estimate atomic energies is introduced. The method is based on utilization of experimental ionization energies as well as conversion of "n-electron atomic systems" to n "one-electron systems." Sample detail calculations are presented with typical graphs to show the distribution of different types of energy within an atom. The breakdown of atomic energies into kinetic, electron-nucleus attraction, and electron-electron repulsion is shown within an atom as well the total of energies of each type for elements. Then in a following step, the variations in kinetic, electron-electron, and electron-nucleus interaction energies of electrons as evidence for atomic shell changes are presented. Furthermore, the article overviews the spatial gaps between orbitals as an added evidence for existence of electronic shells. The findings in this article have significant implications for the structure of atoms and the layout of periodic table. Graphical abstractElectronic energy variations of barium (Ba) for kinetic, electron-electron repulsion, and electron-nucleus energies versus electron number.Keywords: Atomic energy; Atomic shell structure; Electron-electron repulsion energy; Electron-nucleus attraction energy; Ionization energy; Kinetic energy; Periodic table; Spatial gaps
Year: 2019 PMID: 31776795 DOI: 10.1007/s00894-019-4259-1
Source DB: PubMed Journal: J Mol Model ISSN: 0948-5023 Impact factor: 1.810