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Trends in Physical Chemistry   Volumes    Volume 11 
Abstract
Quantum-Chemistry formulae for atomic shell structure, separation of variables, valence, Hartree-Fock/Hückel orbitals and electron transfer matrix element
Richard D. Harcourt
Pages: 79 - 85
Number of pages: 7
Trends in Physical Chemistry
Volume 11 

Copyright © 2006 Research Trends. All rights reserved

ABSTRACT
 
Some details of four previously-published quantum-chemistry formulae are redescribed. These formulae relate to (a) Bohr circular orbits and the atomic shell-structure formula 2n2, (b) the separation of variables for a two-electron atom,  (c) atomic valencies for a diatomic one-electron bond, and (d) Hartree-Fock energy, ionization potentials and Hückel-like orbital energies. A fifth formula, the Wiberg valence formula for an electron-pair bond, is expressed as a sum of covalent spin-pairing and charge transfer contributions. A formula for an electron transfer matrix element is also presented.
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