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Nicole Helbig edited RDMFT1.tex
over 9 years ago
Commit id: bd5355297caa3d6693c07ec1c0c18e5813c5426a
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\begin{eqnarray}
\langle \phi_{i} | \phi_{j}\rangle = \delta_{ij}. \label{eqorth}
\end{eqnarray}
The bounds on the occupation numbers are automatically satisfied by setting
$n_{i}=2sin^2 2\pi\vartheta_i$ $n_{i}=2\sin^2(2\pi\vartheta_i)$ and varying $\vartheta_{i}$ without constraints. The condition (\ref{eqsumocc}) is taken into account by using a Lagrange multiplyer $\mu$ and Lagrange multiplyers $\lambda_{ik}$ are used for the orthonormality constraints (\ref{eqorth}). Then, one can define the following functional
\begin{eqnarray}
\Omega(N,\{\vartheta\} ,\{\phi_i(\mathbf{r})\})= E - \mu (\sum_i 2sin^2( 2\pi\vartheta_i)-N)-\sum_{ik} \lambda_{ik}(\langle\phi_k|\phi_i\rangle-\delta_{ki})
\end{eqnarray}