Preferred Label : Coulomb repulsion;
IUPAC definition : The potential energy component corresponding to the electrostatic interaction between
each pair of charged particles: \[V \frac{1}{4\: \pi\: \varepsilon_{0}}\ \sum _{i}\sum
_{j \lt i}e_{i}\ e_{j}\ Δ r_{ij}\] 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 \[J_{ij}
\int \int \Psi _{i{*}}\left(\mathbf{r}_{1}\right)\ \Psi _{i}\left(\mathbf{r}_{1}\right)\
\left(\frac{e {2}}{r_{12}}\right)\ \Psi _{j{*}}\left(\mathbf{r}_{2}\right)\ \Psi _{j}\left(\mathbf{r}_{2}\right)
\ \mathrm{d}\mathbf{r}_{1} \ \mathrm{d}\mathbf{r}_{2} \lt ij ij \gt\];
Origin ID : CT07013;
See also
The potential energy component corresponding to the electrostatic interaction between
each pair of charged particles: \[V \frac{1}{4\: \pi\: \varepsilon_{0}}\ \sum _{i}\sum
_{j \lt i}e_{i}\ e_{j}\ Δ r_{ij}\] 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 \[J_{ij}
\int \int \Psi _{i{*}}\left(\mathbf{r}_{1}\right)\ \Psi _{i}\left(\mathbf{r}_{1}\right)\
\left(\frac{e {2}}{r_{12}}\right)\ \Psi _{j{*}}\left(\mathbf{r}_{2}\right)\ \Psi _{j}\left(\mathbf{r}_{2}\right)
\ \mathrm{d}\mathbf{r}_{1} \ \mathrm{d}\mathbf{r}_{2} \lt ij ij \gt\]
