IUPAC - Coulomb repulsion (CT07013)

Wikipedia - Forza di Coulomb (it)

Coulomb repulsion

https://doi.org/10.1351/goldbook.CT07013

The potential energy component corresponding to the electrostatic interaction between each pair of charged particles:

V = \frac{1}{4 π ε_{0}} \sum_{i} \sum_{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} = \int \int Ψ_{i *} (r_{1}) Ψ_{i} (r_{1}) (\frac{e^{2}}{r_{12}}) Ψ_{j *} (r_{2}) Ψ_{j} (r_{2}) d r_{1} d r_{2} =< i j | i j >

See also: exchange repulsion

Source:
PAC, 1999, 71, 1919. (Glossary of terms used in theoretical organic chemistry) on page 1932 [Terms] [Paper]

Citation: 'Coulomb repulsion' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.CT07013 RIS BibTex EndNote

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Last revised: February 24, 2014

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Wikipedia - Forza di Coulomb (it)

Coulomb repulsion

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Wikipedia - Forza di Coulomb (it)

Coulomb repulsion