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Nicole Helbig edited RDMFT1.tex
over 9 years ago
Commit id: fdee1c393eaf02cefa7945635b4d2c138cc85978
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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 $n_{i}=2\sin^2(2\pi\vartheta_i)$ and varying $\vartheta_{i}$ without constraints. The
condition conditions (\ref{eqsumocc})
is and (\ref{eqorth}) are taken into account
by using a via Lagrange
multiplyer multipliers $\mu$ and
Lagrange multiplyers $\lambda_{ik}$ are used for the orthonormality constraints (\ref{eqorth}). $\lambda_{ij}$, respectively. Then, one can define the following functional
\begin{eqnarray}
\Omega(N,\{\vartheta\} ,\{\phi_i(\mathbf{r})\})= E - \mu
(\sum_i \left(\sum_{i=1}^\infty 2sin^2(
2\pi\vartheta_i)-N)-\sum_{ik} \lambda_{ik}(\langle\phi_k|\phi_i\rangle-\delta_{ki}) 2\pi\vartheta_i)-N\right)-\sum_{i,j=1}^\infty \lambda_{ij}(\langle\phi_i|\phi_j\rangle-\delta_{ij})
\end{eqnarray}
which has to be stationary with respect to variations in $\{\vartheta_i\}$, $\{\phi_i(\mathbf{r})\}$ and $\{\phi_i^{*}(\mathbf{r})\}$.
%\begin{eqnarray}