The CCD approximation

The operator \( \hat{P}(ij\vert ab) \) is defined as $$ \hat{P}(ij\vert ab) = (1-\hat{P}_{ij})(1-\hat{P}_{ab}). $$ Recall also that the unknown amplitudes \( t_{ij}^{ab} \) represent anti-symmetrized matrix elements, meaning that they obey the same symmetry relations as the two-body interaction, that is $$ t_{ij}^{ab}=-t_{ji}^{ab}=-t_{ij}^{ba}=t_{ji}^{ba}. $$ The two-body matrix elements are also anti-symmetrized, meaning that $$ \langle ab \vert \hat{v} \vert ij \rangle = -\langle ab \vert \hat{v} \vert ji \rangle= -\langle ba \vert \hat{v} \vert ij \rangle=\langle ba \vert \hat{v} \vert ji \rangle. $$ The non-linear equations for the unknown amplitudes \( t_{ij}^{ab} \) are solved iteratively. We discuss the implementation of these equations below.