Ionization Energies of Atoms and Atomic Ions

  title={Ionization Energies of Atoms and Atomic Ions},
  author={P. Lang and Barry C. Smith},
  journal={Journal of Chemical Education},
Less familiar aspects of ionization energies of atoms and atomic ions from s, p, d, and f blocks of the periodic table are discussed. Apparent irregularities in the first and second ionization energies of transition metals and rare earth metals are explained in terms of electronic configurations of the ground states. A semiquantitative treatment of pairing, exchange, and orbital energies accounts for discontinuities at half-filled p, d, and f electron shells and the resulting zigzag patterns. 
One-Electron Atom/Ions and Two-Electron Atoms/Ions: A QMC Study
This paper aimed at determining the ionization energies of some one-electron (hydrogen-like) atoms/ions and some two-electron (helium-like) atoms/ions. The Quantum Monte Carlo (QMC)-CASINO code orExpand
Fermi energy, metals and the drift velocity of electrons
Abstract The free electron theory and band theory are briefly described. Fermi energy calculated using the Sommerfeld theory of metals is discussed. This work shows there is no possibility to suggestExpand
Transferable pseudoclassical electrons for aufbau of atomic ions
The electrons of each spin are found to distribute themselves in a fashion akin to the major lobes of the hybrid atomic orbitals, suggesting a pointillist description of the electron density. Expand
Relativistic Corrections for Calculating Ionization Energies of One- to Five-Electron Isoelectronic Atomic Ions
We have previously proposed a simple empirical equation to reproduce the literature values of the ionization energies of one-electron to four-electron atomic ions with very good agreement. However,Expand
A simple formula to calculate the ionization energies of two-, three-, and four-electron atomic ions
This paper provides an updated version of the two-electron equation adapted to calculate the ionization energies of three and four electron ions and gives fairly good estimates of first electron affinities. Expand
Methods of Calculating Ionization Energies of Multielectron (Five or More) Isoelectronic Atomic Ions
It is demonstrated clearly that for particular isoelectronic sequences, the ionizing electrons may occupy different orbitals and in such cases more than one set of constants are needed to calculate the ionization energies. Expand
An investigation into some important properties of transition metals (densities, resistivities, coefficients of expansion and enthalpies of formation of M x+ ions)
Abstract This paper briefly reviews the current “ions in a sea of electrons” model of metallic structure. Limitations of the model are stated. Properties not explained by the model are accounted forExpand
Applying the soft sphere model to improve the understanding of bonding in transition metals
  • P. Lang
  • Materials Science, Medicine
  • Heliyon
  • 2020
The soft sphere model is used to show that there are four main components involved in the bonding of transition metal solids and the enthalpy of atomisation of gaseous transition metal atoms are calculated according to the model and results when compared to literature values give good agreement. Expand
An equation to calculate internuclear distances of covalent, ionic and metallic lattices.
This work shows that the proposed model of metallic structure complements the band theory and expressions introduced in this work can be used to predict ionic and covalent bond lengths that have not yet been determined as well as being a method for resolving bond type. Expand
Pointillist rendering of electron charge and spin density suffices to replicate trends in atomic properties
  • S. Ekesan, J. Herzfeld
  • Chemistry
  • Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
  • 2015
The monotonic and non-monotonic variations of atomic properties within and between the rows of the periodic table underlie our understanding of chemistry and accounting for these variations has beenExpand


Molecular Quantum Mechanics
INTRODUCTION AND ORIENTATION 1. THE FOUNDATIONS OF QUANTUM MECHANICS Operators in quantum mechanics The postulates of quantum mechanics The specification of evolution of states Matrices in quantumExpand
  • Nucl . Chem . Letters
  • 1981
The Fundamental Atomic Constants
Atomic Spectra and Atomic Structure