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Charles Alfred Coulson coauthored research on molecular orbital.^[ref]

A molecular orbital is a one-electron spatial wavefunction for the combined atomic nuclei of a molecule. For a normalized molecular orbital, the Born rule gives the position probability density $|\psi (\mathbf{r}){|}^2$, with ${\int }_{{\mathbb{R}}^3}|\psi {|}^2{d}^3\mathbf{r}=1$. The molecular orbital is the amplitude, rather than its squared modulus or a classical trajectory.

A theoretical physicist who coauthored work with Charles Alfred Coulson on molecular orbital theory. Their 1940 paper examined when a model for mobile electrons in unsaturated hydrocarbons gives a self-consistent field. Testing that condition matters because the assumed electron distribution and the field generated by it must agree for the approximation to describe a stationary electronic state.^[ref]

Inga Fischer-Hjalmars developed theoretical approaches to chemical bonding, including work with Charles Alfred Coulson on bond dissociation. Stretching a bond tests whether an approximate electronic description can represent the separated fragments correctly.

This links a calculation near equilibrium with its behaviour far from equilibrium. A model that works well near a minimum can fail when a bond breaks and several electronic configurations become important.^[ref]