Iris Theophilou edited RDMFT1.tex  over 9 years ago

Commit id: a600c2086c8d1d6314e664f6c24bbc3e073a4a4d

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\begin{eqnarray}  \sum_{i=1}^{\infty}n_{i}=N.  \end{eqnarray}  Note that within the RDMFT implementation in octopus only closed-shell systems are treated at the momment. Minimization of the energy functional of Eq. ref{eqn:energy} \ref{eqn:energy}  is performed under the $N$-representability constraints and the orthonormality requierements of the natural orbitals, \begin{eqnarray}  \langle \phi_{i} | \phi_{j}\rangle = \delta_{ij}  \end{eqnarray}