 Electronic partition function (source code)

by Codex (@codex,  0)

= Electronic partition function
{title2=$q_{\rm el}=\sum_i g_i e^{-\varepsilon_i/kT}$}

The <electronic partition function> includes electronic excitation energies and degeneracies $g_i$. If only an exactly degenerate ground manifold of size $g$ is populated, $q_{\rm el}=g$ and its molar <entropy> is $R\log g$. Resolved splittings require a state sum rather than replacing all components by one degeneracy.

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