Perturbation Energy Coefficients and Ionization Potentials of the Ground State of Three- to Ten-Electron Isoelectronic Atomic Series

1962 ◽  
Vol 127 (3) ◽  
pp. 830-837 ◽  
Author(s):  
Charles W. Scherr ◽  
Jeremiah N. Silverman ◽  
F. A. Matsen
Keyword(s):  
Ground State ◽  
Ionization Potentials ◽  
Perturbation Energy ◽  
Atomic Series

scholarly journals Ionization Potentials of Hydrogen Fluoride and the Ground-State of the HF+ Ion

Nature ◽  
1957 ◽  
Vol 179 (4571) ◽  
pp. 1186-1186 ◽  
Author(s):  
J. A. R. COOPE ◽  
D. C. FROST ◽  
C. A. McDOWELL
Keyword(s):  
Hydrogen Fluoride ◽  
Ground State ◽  
Ionization Potentials

Ground-State Ionization Potentials for Ionized Atoms by the Thomas-Fermi Model

1973 ◽  
Vol 8 (5) ◽  
pp. 2249-2254 ◽  
Author(s):  
Leon A. Wittwer ◽  
Stewart D. Bloom
Keyword(s):  
Ground State ◽  
Ionization Potentials ◽  
Fermi Model ◽  
Thomas Fermi

Comments on the paper by A. D. Walsh

1951 ◽  
Vol 207 (1088) ◽  
pp. 31-32 ◽  
Keyword(s):  
Ionization Potential ◽  
Ground State ◽  
Valence State ◽  
Periodic Table ◽  
Direct Relationship ◽  
Ionization Potentials ◽  
Electron Affinities ◽  
Theoretical Justification ◽  
Left Hand ◽  
The Right

Theoretical justification for a relationship between ionization potential ( I ) and electronegativity ( x ) rests in the equation derived by Mulliken (1934, 1949), viz.: X = I + E / 2 where E is the electron affinity. Elements situate on the left-hand side of the Periodic Table have small E values, so that in these cases a direct relationship between x and I might be anticipated. On the right-hand side of the Periodic Table, the electron affinities may be appreciable, and for example in the halogens, are of the order 3 to 4 eV. The neglect of the term in E in these instances represents a serious departure from Mulliken’s equation. It is furthermore important to stress that the values of I which apply in the Mulliken equation are ‘valence-state’ ionization potentials, and are not in general to be identified with the first ionization potentials of the elements, which Walsh has employed. The relationships observed by Walsh might, in consequence, be misleading in cases where the ionization potential of the ground-state of an atom is far removed (in energy) from the ionization potential of the atom in its appropriate valence-state (e.g. Zn, Cd, Hg).

Ionization Potentials of Hydrogen Fluoride and the Ground-State of the HF+ Ion

Nature ◽  
1957 ◽  
Vol 179 (4571) ◽  
pp. 1186-1186 ◽  
Author(s):  
J. W. C. JOHNS ◽  
R. F. BARROW
Keyword(s):  
Hydrogen Fluoride ◽  
Ground State ◽  
Ionization Potentials

scholarly journals Расчеты релятивистских, корреляционных, ядерных и квантово-электродинамических поправок к энергии и потенциалу ионизации основного состояния гелиеподобных ионов

2020 ◽  
Vol 128 (1) ◽  
pp. 24
Author(s):  
И.И. Тупицын ◽  
С.В. Безбородов ◽  
А.В. Малышев ◽  
Д.В. Миронова ◽  
В.М. Шабаев
Keyword(s):  
Total Energy ◽  
Quantum Electrodynamic ◽  
Ground State ◽  
Finite Size ◽  
Wave Functions ◽  
Ionization Potentials ◽  
Recoil Effect ◽  
Finite Mass ◽  
Variational Calculations ◽  
Field Shift

In this work, nonrelativistic and relativistic variational calculations of the energies and ionization potentials of the ground state of helium-like ions for the nuclear charges in the range Z = 2 − 20 were performed.the leading corrections to the total energy were calculated including the contribution of electronic correlations, relativistic and quantum-electrodynamic (QED) corrections, and the contributions of the finite size ofnucleus (field shift) and the finite mass of the nucleus (recoil effect). Relativistic сalculations of the wave functions were performed using the Dirac-Coulomb-Breit (DCB) Hamiltonian.

The effect of fluorine on the electronic spectra and ionization potentials of molecules

1960 ◽  
Vol 258 (1295) ◽  
pp. 459-469 ◽  
Keyword(s):  
Ionization Potential ◽  
Ground State ◽  
Inductive Effect ◽  
Opposite Sign ◽  
Alkyl Halides ◽  
Ionization Potentials ◽  
Molecular Ion ◽  
Resonance Effects ◽  
Inductive Effects ◽  
Resonance Stabilization

The effect of substituents on the spectra and ionization potentials of electrons in chromophoric groups can in a general way be divided into two major contributions, namely, ( a ) inductive effects which act mainly by changing the binding of electrons in the ground state, and ( b ) resonance effects which stabilize the molecular ion. When the substituent is a fluorine atom these effects are large but of opposite sign. The magnitude of the inductive effect is shown to be in some cases as much as several electron volts by considering sets of molecules where resonance stabilization of the molecular ion is negligible, for example, hydrocarbons and their perfluoroderivatives, NH 3 and NF 3 , the perfluoromethyl halides, etc. In other classes of molecules, such as the trifluoromethyl radicals, the fluorinated ethylenes and aromatics, large resonance stabilization of the molecular ion occurs along with the inductive effect and as these are of opposite sign, relatively small changes of ionization potential result from the substitution. The study of the dependence of increases of ionization potential due to inductive effects on the distance of the substituted fluorine from a chromophore shows how this is reduced as the separation increases. Many of the longer wavelength bands of various chromophores show shifts on substitution which are in the opposite direction to the changes which occur in the ionization potential. It is suggested that these can in many cases be attributed to the different spatial dependence of resonance and inductive effects. The interplay of this spatial variation and the dimensions of the upper orbital, especially when this has a large overlap with the substituting group, can produce energy changes in the excited orbitals which make the bands appear to behave anomolously on substitution. New values for the ionization potentials of the fluorinated ethylenes, aromatics and alkyl halides are given.

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