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Coulomb repulsion

The potential energy component corresponding to the electrostatic interaction between each pair of charged particles:
V = 1 4 π ε 0 ∑ i ∑ j < i e i e j Δ r i j
where ε 0 is the permittivity of a vacuum, Δ r i j is the distance between the two particles, and e i and e j are the charges on particles i and j . In molecular orbital theory, the electrostatic repulsion between the two electrons occupying the orbitals Ψ i and Ψ j . In the Hartree–Fock method, the mean Coulomb repulsion is determined by the value of the Coulomb integral
J i j = ∫ ∫ Ψ i * r 1 Ψ i r 1 e 2 r 1 2 Ψ j * r 2 Ψ j r 2 ⁢ d r 1 ⁢ d r 2 = i j | i j
PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1932
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IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8.
Last update: 2014-02-24; version: 2.3.3.
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