Relation of dissociation energy, internuclear distance, and overlap integral for hydrogen halides to atomic ionization potentials

1981 ◽  
Vol 75 (9) ◽  
pp. 4743-4745 ◽  
Author(s):  
N. H. March ◽  
J. F. Mucci
Keyword(s):  
Dissociation Energy ◽  
Internuclear Distance ◽  
Ionization Potentials ◽  
Hydrogen Halides ◽  
Overlap Integral ◽  
Atomic Ionization

Corrigendum

1978 ◽  
Vol 361 (1707) ◽  
pp. 527-527
Keyword(s):  
Neutral Atom ◽  
Theoretical Chemistry ◽  
Ionization Potentials ◽  
Reference Table ◽  
University Of Oxford ◽  
Atomic Ionization ◽  
Atom Energy ◽  
Correlation Corrections ◽  
Energy Components

Proc. R. Soc. Lond . A 359, 525-543 (1978) The relation between successive atomic ionization potentials By N. C. Pyper and I. P. Grant Department of Theoretical Chemistry, University of Oxford, 1 South Parks Road, Oxford, OX1 3TG, U. K. The authors regret that table 8 was accidentally omitted from the typescript sent to the printer. It is now printed below for reference. Table 8. Correlation corrections to neutral atom energy components (a. u.)

Boron dimer: dissociation energy and ionization potentials

1990 ◽  
Vol 174 (1) ◽  
pp. 33-36 ◽  
Author(s):  
P.W. Deutsch ◽  
L.A. Curtiss ◽  
J.A. Pople
Keyword(s):  
Dissociation Energy ◽  
Ionization Potentials

Atomic Ionization Potentials Derived from Theoretical Calculations

1975 ◽  
Vol 53 (21) ◽  
pp. 2415-2420 ◽  
Author(s):  
Serafin Fraga ◽  
K. M. S. Saxena ◽  
Jacek Karwowski ◽  
Brian Bray
Keyword(s):  
Experimental Data ◽  
Predictive Value ◽  
Theoretical Calculations ◽  
Ground States ◽  
Theoretical Method ◽  
Ionization Potentials ◽  
Hartree Fock ◽  
Atomic Ionization ◽  
Total Energies ◽  
Theoretical Results

A table of all the ionization potentials of the elements lithium through krypton is presented.These values have been derived from the theoretical results obtained, within the Hartree–Fock method and including all the relativistic corrections, for the total energies of the ground states. The characteristics of the theoretical method are briefly outlined.Comparison with available experimental data establishes the excellent predictive value of the theoretical results.

Atomic ionization potentials and electron affinities with relativistic and mass corrections

1997 ◽  
Vol 96 (4) ◽  
pp. 248-255 ◽  
Author(s):  
Toshikatsu Koga ◽  
Hidenori Aoki ◽  
J. M. Garcia de la Vega ◽  
Hiroshi Tatewaki
Keyword(s):  
Ionization Potentials ◽  
Electron Affinities ◽  
Atomic Ionization
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