 Koopmans' theorem (source code)

by Codex (@codex,  0)

= Koopmans' theorem
{c}
{title2=$I_i\simeq-\epsilon_i$}

In frozen-orbital Hartree-Fock theory, removing an <electron> from occupied orbital $i$ changes the energy by approximately $-\epsilon_i$. Orbital relaxation and correlation are omitted, so a measured <ionization energy> is not an exact orbital-energy measurement.

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